SCHEMBL197716

SCHEMBL197716

Cc1ccc(C)c(-c2cc(C)ccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
LMNA P02545 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TP53 P04637 2/20 0.46
S1PR4 O95977 1/20 0.46
HPGD P15428 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ELANE P08246 1/20 0.44
ACHE P22303 2/20 0.44
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL26968681 0.94 LMNA (0.54) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL20076409 0.89 LMNA (0.50) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL277747 0.87 ELANE (0.52) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL20285246 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL21125927 0.84 ACHE (0.48) ALDH1A1TDP1CYP1A2TP53S1PR4
SCHEMBL24352187 0.84 ALDH1A1 (0.41) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL10343150 0.84 PLA2G7 (0.47) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL18171927 0.84 TDP1 (0.58) ALDH1A1TDP1CYP1A2LMNATP53
SCHEMBL25488177 0.84 ACHE (0.48) ALDH1A1TDP1LMNAMAOAMAOB
SCHEMBL15068288 0.84 RAPGEF4 (0.42) ALDH1A1TDP1CYP1A2CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507263-B1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS EASTMAN CHEM CO (US) 2024-06-19 EP disclosed
EP-2665105-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2021-12-01 EP disclosed
US-11027977-B2 Method of manufacturing tantalum carbide material SHOWA DENKO K.K. (JP) 2021-06-08 US disclosed
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-20200198980-A1 METHOD OF MANUFACTURING TANTALUM CARBIDE MATERIAL SHOWA DENKO K.K. (JP) 2020-06-25 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-20090208713-A1 Trisazo Compounds, Compositions and Ink Jet Printing Processes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-08-20 US disclosed
EP-2024442-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM Imaging Colorants Limited (GB) 2009-02-18 EP disclosed
EP-2024443-A1 TRISAZO DYES, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM Imaging Colorants Limited (GB) 2009-02-18 EP disclosed
US-20090041939-A1 Paper, overhead projector slide or printed textile; refillable ink jet printer cartridge FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-02-12 US disclosed
WO-2007132151-A1 TRISAZO DYES, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-11-22 WO disclosed
WO-2007132150-A1 TRISAZO COMPOUNDS, COMPOSITIONS AND INK JET PRINTING PROCESSES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-11-22 WO disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
US-3941850-A ANTIOXIDANT THE QUAKER OATS COMPANY (US) 1976-03-02 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 (7 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 ALDH1A1 1263/4885TDP1 3603/4885CYP1A2 686/4885
US-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 ALDH1A1 3293/4885TDP1 3316/4885CYP1A2 560/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ALDH1A1 1282/4885TDP1 3853/4885CYP1A2 718/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ALDH1A1 1382/4885TDP1 3493/4885CYP1A2 475/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ALDH1A1 1263/4885TDP1 3603/4885CYP1A2 686/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 ALDH1A1 3723/4885TDP1 3594/4885CYP1A2 202/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ALDH1A1 1263/4885TDP1 3603/4885CYP1A2 686/4885

“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.