SCHEMBL182145

SCHEMBL182145

COc1ccc(C(C=O)C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.44
ACP3 P15309 1/20 0.44
SLC2A1 P11166 1/20 0.44
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7343785 0.82 AKR1C3 (0.56) CYP2A6TDP1TSHRL3MBTL1CYP1A2
SCHEMBL4775938 0.82 ALDH1A1 (0.52) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL615428 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL2591240 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL1155920 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL23540648 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL5711869 0.78 CYP1A2 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL29207873 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL4045973 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL6194589 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113652044-A Halogen-free low-smoke flame-retardant wire and cable and preparation method thereof 温州市电线二厂 2021-11-16 CN claimed
EP-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP claimed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US claimed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US claimed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP claimed
CN-1675997-A Alpha-hydroxy sulfonate aldehydes, germicidal compositions and disinfection or sterilization method ETHICON INC (US) 2005-10-05 CN claimed
EP-1561474-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds of compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-10 EP claimed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-113652044-A Halogen-free low-smoke flame-retardant wire and cable and preparation method thereof 温州市电线二厂 2021-11-16 CN disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
CN-110496127-A A kind of inhibitor of Heat shock factor1, preparation method and application SHANGHAI INST BIOLOGICAL SCIENCES CAS 2019-11-26 CN disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2003014137-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2003-02-20 WO disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed
EP-1189916-A2 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2000078779-A2 N-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO 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 (6 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-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A ALDH1A1 1103/4885CYP2A6 1794/4885CA1 2605/4885
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR ALDH1A1 86/4885CYP2A6 860/4885CA1 1345/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 ALDH1A1 787/4885CYP2A6 1545/4885CA1 2620/4885
US-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ALDH1A1 636/4885CYP2A6 3008/4885CA1 4635/4885
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization TST, STS, BPNT1 ALDH1A1 7/4885CYP2A6 1493/4885CA1 1590/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ALDH1A1 1413/4885CYP2A6 447/4885CA1 4537/4885

“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.