SCHEMBL6543576

SCHEMBL6543576

O=[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80
▸ ESR1 P03372 4/20 0.57
▸ ESR2 Q92731 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CES1 P23141 3/20 0.39
▸ CES2 O00748 2/20 0.39
▸ CALM1 P0DP23 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DRD1 P21728 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
Oxygen SCHEMBL11268842 0.90 TDP1 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL9420677 0.90 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1951204 0.90 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL81285 0.90 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL3181354 0.90 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL561726 0.90 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
Benzene SCHEMBL6890099 0.89 TDP1 (1.00) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL101 0.89 TDP1 (1.00) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL2085135 0.89 TDP1 (1.00) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL5028587 0.89 TDP1 (1.00) CYP3A4TDP1ESR1ESR2KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217156-A1 POLYCYCLIC COMPOUND AND USE THEREOF 浙江同源康医药股份有限公司 2023-11-16 — — WO disclosed
CN-117024405-A Polycyclic compounds and uses thereof 浙江同源康医药股份有限公司 2023-11-10 — — CN disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 — — CN disclosed
CN-1208323-C Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2005-06-29 — — CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 — — EP disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 — — US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 — — US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 — — US disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 — — US disclosed
CN-1353694-A Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2002-06-12 — — CN disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 — — EP disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 — — CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 — — 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 (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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CYP3A4 812/4885TDP1 4444/4885ESR1 775/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CYP3A4 812/4885TDP1 4444/4885ESR1 775/4885

“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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