SCHEMBL1243626

SCHEMBL1243626

O=C(OCCl)c1ccc(C(=O)OCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 6/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAOA P21397 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SLC6A2 P23975 2/20 0.47
CHRM1 P11229 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL8679315 0.91 GAA (0.54) ESR1KMT2AMEN1CA1CA2
SCHEMBL1268976 0.91 MAPT (0.53) ESR1KMT2AMEN1CA12CA1
SCHEMBL557321 0.89 MAPT (0.51) KMT2AMEN1CA1CA2LMNA
SCHEMBL2332040 0.89 TDP1 (0.57) ESR1KMT2ACA12CA1CA2
SCHEMBL8477122 0.89 CA1 (0.57) KMT2AMEN1CA12CA1CA2
SCHEMBL23748867 0.89 KMT2A (0.52) ESR1KMT2AMEN1CA12CA1
SCHEMBL557186 0.88 TDP1 (0.63) KMT2ALMNACYP1A2TDP1TSHR
SCHEMBL28147949 0.87 ALDH1A1 (0.55) ESR1KMT2AMEN1CA12CA1
Hydrochloric Acid SCHEMBL8460879 0.86 TDP1 (0.61) KMT2ALMNACYP1A2TDP1TSHR
SCHEMBL11451991 0.85 MAPK1 (0.40) ESR1KMT2AMEN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed
CN-102336717-B Quinazoline derivatives EISAI R&D MAN CO LTD 2013-09-18 CN disclosed
US-8492088-B2 Engineering enzymes through genetic selection GEORGIA TECH RESEARCH CORPORATION (US) 2013-07-23 US disclosed
CN-101687819-B External preparation EISAI R&D MAN CO LTD 2013-03-20 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
CN-102532041-A Process for producing quinazoline derivative EISAI R&D MAN CO LTD 2012-07-04 CN disclosed
CN-102336717-A Quinazoline derivatives EISAI R&D MAN CO LTD 2012-02-01 CN disclosed
US-7894118-B2 Electrochromic compound, electrochromic composition and display device RICOH COMPANY, LTD. (JP) 2011-02-22 US disclosed
US-20110027820-A1 ENGINEERING ENZYMES THROUGH GENETIC SELECTION GEORGIA TECH RESEARCH CORPORATION (US) 2011-02-03 US disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
US-20090231663-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION AND DISPLAY DEVICE RICOH COMPANY, LTD. (JP) 2009-09-17 US disclosed
EP-2100938-A1 Electrochromic compound, electrochromic composition and display device Ricoh Company, Limited (JP) 2009-09-16 EP disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20070298414-A1 Engineering Enzymes Through Genetic Selection GEORGIA TECH RESEARCH CORPORATION 2007-12-27 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
WO-2005049804-A2 ENGINEERING ENZYMES THROUGH GENETIC SELECTION GEORGIA TECH RESEARCH CORPORATION (US) 2005-06-02 WO disclosed
EP-0095698-B1 PROCESS FOR THE PREPARATION OF TEREPHTHALIC AND ISOPHTHALIC ACID DICHLORIDE BAYER AG (DE) 1985-09-04 EP disclosed
US-4528146-A Process for the preparation of terephthaloyl and isophthaloyl dichlorides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 US disclosed
EP-0095698-A1 Process for the preparation of terephthalic and isophthalic acid dichloride BAYER AG (DE) 1983-12-07 EP 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB ESR1 1295/4885KMT2A 3788/4885MEN1 2537/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 ESR1 1139/4885KMT2A 3495/4885MEN1 726/4885
US-20090231663-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION AND DISPLAY DEVICE TYR, AHR, ECH1 ESR1 45/4885KMT2A 1016/4885MEN1 3306/4885

“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.