SCHEMBL732604

SCHEMBL732604

Cc1ccc(C)c(-c2cccc(C)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 9/20 0.47
CYP1A2 P05177 2/20 0.42
ELANE P08246 1/20 0.42
CYP2A6 P11509 1/20 0.42
NUDT1 P36639 2/20 0.40
ACHE P22303 1/20 0.40
S1PR2 O95136 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3026986 0.84 S1PR4 (0.43) S1PR4CYP1A2ELANECYP2A6NUDT1
SCHEMBL277747 0.84 ELANE (0.52) S1PR4CYP1A2ELANECYP2A6ACHE
SCHEMBL10304846 0.82 S1PR4 (0.41) S1PR4CYP1A2ELANECYP2A6ACHE
SCHEMBL218508 0.81 TRPA1 (0.52) CYP1A2CYP2A6NUDT1ACHEATM
SCHEMBL197716 0.81 ALDH1A1 (0.52) S1PR4CYP1A2ELANECYP2A6ACHE
SCHEMBL30834716 0.81 TRPA1 (0.52) CYP1A2CYP2A6NUDT1ACHEATM
SCHEMBL17034015 0.79 S1PR4 (0.45) S1PR4CYP1A2ELANECYP2A6ACHE
SCHEMBL12648777 0.79 S1PR4 (0.45) S1PR4CYP1A2ELANECYP2A6ACHE
SCHEMBL28597257 0.79 ATM (0.45) S1PR4CYP1A2NUDT1ACHEMEN1
SCHEMBL284410 0.79 TSHR (0.47) CYP1A2CYP2A6ACHEATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797862-B1 OLEFIN OLIGOMERIZATION METHODS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2021-04-07 EP disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-11-27 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-20130331364-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-12-12 US disclosed
US-8551978-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2013-10-08 US disclosed
US-20130172651-A1 Olefin Oligomerization Methods CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-07-04 US disclosed
WO-2013101387-A1 OLEFIN OLIGOMERIZATION METHODS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-07-04 WO disclosed
EP-2599778-A1 Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity Theravance Inc (US) 2013-06-05 EP disclosed
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-05-30 US disclosed
US-8138345-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2012-03-20 US disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 US disclosed
US-4957815-A RUPTURABLE MICROCAPSULES SOCIETE ATOCHEM 1990-09-18 US disclosed
US-4032568-A PRODUCTION OF 2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B S1PR4 370/4885CYP1A2 686/4885ELANE 4696/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A S1PR4 485/4885CYP1A2 726/4885ELANE 4791/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A S1PR4 448/4885CYP1A2 718/4885ELANE 4700/4885
US-20130331364-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A S1PR4 341/4885CYP1A2 329/4885ELANE 4046/4885
US-20130172651-A1 Olefin Oligomerization Methods COG4, OSTC, COG8 S1PR4 2750/4885CYP1A2 910/4885ELANE 4602/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B S1PR4 372/4885CYP1A2 475/4885ELANE 3108/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B S1PR4 370/4885CYP1A2 686/4885ELANE 4696/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B S1PR4 458/4885CYP1A2 715/4885ELANE 4732/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B S1PR4 370/4885CYP1A2 686/4885ELANE 4696/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A S1PR4 471/4885CYP1A2 671/4885ELANE 4756/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A S1PR4 341/4885CYP1A2 329/4885ELANE 4046/4885
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A S1PR4 341/4885CYP1A2 329/4885ELANE 4046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.