SCHEMBL1638769

SCHEMBL1638769

O=Cc1cccc(-c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
PTGER4 P35408 4/20 0.46
PTGER3 P43115 4/20 0.46
PTGER2 P43116 4/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ERN1 O75460 2/20 0.45
GSTP1 P09211 2/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
SRC P12931 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL28877513 0.87 CCNB2 (0.53) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL4960000 0.82 HTR1A (0.42) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8406054 0.82 LCK (0.48) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8406052 0.82 LCK (0.48) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL11229642 0.81 CD274 (0.37) PTGER1PTGER4PTGER3PTGER2PDCD1
SCHEMBL8845359 0.81 RXRA (0.42) PTGER1PTGER4PTGER3PTGER2ERN1
SCHEMBL1050281 0.81 CCNB2 (0.59) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL1897191 0.81 MGAM (0.45) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL17772584 0.80 PTGER3 (0.45) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL9428743 0.80 ADRB2 (0.40) SMN1; SMN2ALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219592-A Benzyl phenylate analog derivative and its preparation method and pharmaceutical composition and purposes 中国医学科学院药物研究所 2019-01-15 CN disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 US disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
CN-102753584-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-10-24 CN disclosed
CN-102666597-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-09-12 CN disclosed
EP-2493934-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056428-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098431-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 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 (3 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-20110098431-A1 Catalyst Compounds and Use Thereof PAM, AAAS, PAOX PTGER1 1043/4885PTGER4 250/4885PTGER3 386/4885
US-20110098425-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 PTGER1 2069/4885PTGER4 461/4885PTGER3 1254/4885
US-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 PTGER1 2069/4885PTGER4 461/4885PTGER3 1254/4885

“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.