SCHEMBL4794844

SCHEMBL4794844

COC(=O)c1n[nH]c2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.63
▸ STAT3 P40763 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ PRKAG1 P54619 3/20 0.60
▸ PRKAA1 Q13131 3/20 0.60
▸ PRKAB1 Q9Y478 3/20 0.60
▸ NR4A2 P43354 1/20 0.55
▸ GSK3B P49841 6/20 0.55
▸ ROCK1 Q13464 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FLT3 P36888 2/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CDC7 O00311 1/20 0.50

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
SCHEMBL16516393 0.88 KDM4E (0.63) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL17324787 0.86 PRKAG1 (0.62) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL929332 0.86 PRKAG1 (0.79) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL31507475 0.86 KDM4E (0.64) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL493081 0.86 KDM4E (0.64) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL4791019 0.86 KDM4E (0.57) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL30648568 0.86 KDM4E (0.57) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL28577811 0.85 PRKAG1 (0.60) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL4793050 0.83 KDM4E (0.65) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL173308 0.83 KDM4E (0.65) KDM4ESTAT3HIF1APRKAG1PRKAA1

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-112805282-A Indazole-carboxamide derivatives and uses thereof 广东东阳光药业有限公司 2021-05-14 — — CN disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — 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 (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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA KDM4E 2080/4885STAT3 77/4885HIF1A 848/4885

“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.

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