SCHEMBL2138580

SCHEMBL2138580

OCCc1cccc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
ENPP2 Q13822 1/20 0.50
DAO P14920 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
BACE1 P56817 1/20 0.48
TSHR P16473 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PRKCI P41743 1/20 0.45
ACMSD Q8TDX5 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B1 P15538 1/20 0.43

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
SCHEMBL239199 0.92 TDP1 (0.65) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL123838 0.87 TSHR (0.61) ENPP2DAOTSHRPRSS1PRSS2
SCHEMBL1244841 0.86 CYP4F2 (0.49) TDP1CYP4F2CYP4A11ENPP2DAO
SCHEMBL15250083 0.85 TDP1 (0.56) TDP1CYP4F2CYP4A11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL14334287 0.84 ENPP2 (0.58) ENPP2DAOTSHRPRSS1PRSS2
SCHEMBL9454318 0.83 TSHR (0.59) TDP1CYP4F2CYP4A11ENPP2DAO
SCHEMBL10922837 0.82 CYP4F2 (0.51) CYP4F2CYP4A11ENPP2DAOTSHR
SCHEMBL23120606 0.81 ENPP2 (0.56) TDP1CYP4F2CYP4A11ENPP2KDM4E
SCHEMBL3812842 0.81 TDP1 (0.52) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL1247008 0.81 CYP4F2 (0.55) TDP1CYP4F2CYP4A11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906969-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF East China University of Science and Technology (CN) 2021-11-10 EP disclosed
US-11059941-B2 Methods for preparing materials from polyaromatic heavy feedstocks EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-07-13 US disclosed
US-20190315912-A1 METHODS FOR PREPARING MATERIALS FROM POLYAROMATIC HEAVY FEEDSTOCKS EXXONMOBIL RES & ENG CO (US) 2019-10-17 US disclosed
US-10173209-B2 Complex catalysts based on amino-phosphine ligands for hydrogenation and dehydrogenation processes GOUSSEV DMITRI (CA) 2019-01-08 US disclosed
US-20170174833-A1 HIGH-FLUIDITY POLYCARBONATE COPOLYMER, PROCESS FOR PRODUCTION HIGHLY POLYMERIZED AROMATIC POLYCARBONATE RESIN AND AROMATIC POLYCARBONATE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-06-22 US disclosed
US-20170073298-A1 CATALYSTS BASED ON AMINO-SULFIDE LIGANDS FOR HYDROGENATION AND DEHYDROGENATION PROCESSES GOUSSEV DMITRI (CA) 2017-03-16 US disclosed
US-20160264726-A1 HIGH-FLUIDITY POLYCARBONATE COPOLYMER, PROCESS FOR PRODUCTION HIGHLY POLYMERIZED AROMATIC POLYCARBONATE RESIN AND AROMATIC POLYCARBONATE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-15 US disclosed
EP-3062827-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR Bristol-Myers Squibb Company (US) 2016-09-07 EP disclosed
US-9353216-B2 High-fluidity polycarbonate copolymer, process for production highly polymerized aromatic polycarbonate resin and aromatic polycarbonate compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-05-31 US disclosed
WO-2015066456-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-07 WO disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 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 (4 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-10173209-B2 Complex catalysts based on amino-phosphine ligands for hydrogenation and dehydrogenation processes PWWP2B, FASN, ELOVL6 TDP1 4565/4885CYP4F2 737/4885CYP4A11 933/4885
US-20170073298-A1 CATALYSTS BASED ON AMINO-SULFIDE LIGANDS FOR HYDROGENATION AND DEHYDROGENATION PROCESSES ACSL3, GLUL, FASN TDP1 4705/4885CYP4F2 301/4885CYP4A11 203/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 TDP1 4473/4885CYP4F2 69/4885CYP4A11 37/4885
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA TDP1 4748/4885CYP4F2 348/4885CYP4A11 252/4885

“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.