SCHEMBL239121

SCHEMBL239121

c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.71
ESR2 Q92731 3/20 0.71
ALOX5 P09917 1/20 0.68
HSD17B1 P14061 1/20 0.65
HSD17B2 P37059 1/20 0.65
GSTP1 P09211 1/20 0.64
CYP17A1 P05093 1/20 0.60
CYP19A1 P11511 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ACMSD Q8TDX5 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL5013872 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15902840 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239998 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239993 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30603836 1.00 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL31039575 0.97 ESR1 (0.76) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL18260181 0.97 ESR1 (0.76) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL14994162 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL3424690 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15842052 0.94 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084302-A1 ORGANIC COMPOUND AND LIGHT-EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-03-13 US claimed
CN-108409682-A A kind of chirality diazole and binaphthol derivative and its synthetic method 华东师范大学 2018-08-17 CN claimed
EP-2970807-A1 METHOD FOR IMPROVING THERMAL -OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY ExxonMobil Research and Engineering Company (US) 2016-01-20 EP claimed
US-9062269-B2 Method for improving thermal-oxidative stability and elastomer compatibility EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-06-23 US claimed
WO-2014149406-A1 METHOD FOR IMPROVING THERMAL -OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-25 WO claimed
US-20140274836-A1 METHOD FOR IMPROVING THERMAL-OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-18 US claimed
US-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2011-03-31 US claimed
WO-2010094164-A1 PROCESS FOR THE HYDROGENATION OF IMINES CHEMINOVA A/S (DK) 2010-08-26 WO claimed
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation MULLER HANS RUDOLF 2008-12-11 US claimed
US-7049453-B2 “Constrained geometry” metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2006-05-23 US claimed
EP-1200437-B1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2004-03-10 EP claimed
EP-1349863-A1 NOVEL N-PHENYL-PYRROL BISPHOSPHANE COMPOUNDS AND THE METAL COMPLEXES OF THE SAME Oxeno Olefinchemie GmbH (DE) 2003-10-08 EP claimed
WO-2002055528-A1 NOVEL N-PHENYL-PYRROL BISPHOSPHANE COMPOUNDS AND THE METAL COMPLEXES OF THE SAME OXENO OLEFINCHEMIE GMBH (DE) 2002-07-18 WO claimed
EP-1200437-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG Forschungsinstitut (CH) 2002-05-02 EP claimed
EP-0850241-B1 IRIDIUM-DIPHOSPHINE COMPLEXES AND PROCESS FOR THE HYDROGENATION OF IMINES NOVARTIS AG (CH) 2001-08-29 EP claimed
WO-2001004120-A1 METHOD FOR PRODUCING BY STEREOSPECIFIC HYDRATION TETRAHYDROPTERINS AND OPTICALLY PURE DERIVATIVES, IN PARTICULAR TETRAHYDROFOLIC ACID AND ITS OPTICALLY PURE DERIVATIVES EPROVA AG (CH) 2001-01-18 WO claimed
US-6008393-A A DITERTIARY DIPHOSPHINE WHICH IS BONDED TO A C2 TO C4 CARBON CHAIN, AND FORMS A 5 TO 7 MEMBERED RING WITH IRIDIUM HALIDE AND CONTAINING OXYACID ANION SUCH AS CARBOXYLIC ACID, SULFONIC ACID AND PHOSPHORIC ACID NOVARTIS AG (CH) 1999-12-28 US claimed
EP-0419409-B1 Iridium complexes, process for their preparation and their use CIBA GEIGY AG (CH) 1995-11-02 EP claimed
US-5112999-A With diphosphines and diphosphinites, catalysts for hydrogenation of imines to secondary amines CIBA-GEIGY CORPORATION (US) 1992-05-12 US claimed
EP-0419409-A2 Iridium complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-03-27 EP claimed

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-20110077418-A1 PROCESS FOR THE HYDROGENATION OF IMINES INTS9, INTS6, INF2 ESR1 2263/4885ESR2 1144/4885ALOX5 1384/4885
US-20080306263-A1 Process For The Preparation Of Optically Pure Tetrahydropterins And Derivatives, And Specifically Of Optically Pure Tetrahydrofolic Acid And Derivatives Thereof, By Stereospecific Hydrogenation DHFR, MTHFD2, MTHFD1 ESR1 4368/4885ESR2 4572/4885ALOX5 225/4885
US-20250084302-A1 ORGANIC COMPOUND AND LIGHT-EMITTING DEVICE CRY1, C1S, DRD1 ESR1 116/4885ESR2 602/4885ALOX5 2445/4885

“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.