SCHEMBL4075760

SCHEMBL4075760

CC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.55
NR5A1 Q13285 1/20 0.55
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
ALOX5 P09917 2/20 0.41
PTGS2 P35354 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL14764650 0.88 GABRA1 (0.46) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL27195660 0.86 NR5A2 (0.56) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL30861606 0.86 NR5A2 (0.56) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL28742131 0.86 NR5A2 (0.56) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL29670054 0.86 NR5A2 (0.56) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL6858504 0.85 NR5A2 (0.55) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL132940 0.85 NR5A2 (0.55) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL10954587 0.83 NR5A2 (0.54) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL9019692 0.83 NR5A2 (0.54) NR5A2NR5A1ALDH1A1GAATDP1
SCHEMBL10864009 0.83 NR5A2 (0.54) NR5A2NR5A1ALDH1A1GAATDP1

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
WO-2023116587-A1 BINUCLEAR PLATINUM COMPLEX LUMINESCENT MATERIAL AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2023-06-29 WO disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines CIBA CORPORATION 2009-05-07 US disclosed
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines CIBA CORPORATION 2009-05-07 US disclosed
WO-2008052288-A1 DITHIOLE COMPOUNDS AS COX INHIBITORS NEURO THERAPEUTICS LIMITED (AU) 2008-05-08 WO disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
CN-1260010-C Ethene oligomerization catalyst, synthetic method and use thereof SHANGHAI ORGANIC CHEMICAL INST (CN) 2006-06-21 CN disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
CN-1552525-A Ethene oligomerization catalyst, synthetic method and use thereof 中国科学院上海有机化学研究所 2004-12-08 CN disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
CN-1332182-A Catalyst for polymerization and copolymerization of olefine and its synthesis and use SHANGHAI INST ORGANIC CHEM (CN) 2002-01-23 CN disclosed
US-6083977-A HAVING ACTIVITY FOR RETINOIC ACID RECEPTORS AND RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-04 US disclosed
EP-0800503-B1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2000-05-10 EP disclosed
US-5721103-A SKIN DISORDERS; VISION DEFECTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-02-24 US disclosed
EP-0800503-A1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996020913-A1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 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 (2 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 NR5A2 3574/4885NR5A1 1517/4885ALDH1A1 1428/4885
US-20090117394-A1 Tris(Hydroxyphenyl) Triazines WIZ, CRYZ, TPH2 NR5A2 2189/4885NR5A1 4229/4885ALDH1A1 819/4885

“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.