SCHEMBL554335

SCHEMBL554335

COC(=O)c1ccc2[nH]c(C)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
AXL P30530 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
XDH P47989 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
CREBBP Q92793 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 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
SCHEMBL30460215 0.87 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL5881610 0.87 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL18966722 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL7920888 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL27535854 0.83 CA12 (0.51) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL30694751 0.83 XDH (0.61) ALDH1A1KDM4EHPGDHSD17B10XDH
SCHEMBL31017191 0.83 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL21326430 0.82 CREBBP (0.50) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL15683130 0.82 CREBBP (0.50) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL13267581 0.81 MAOB (0.55) ALDH1A1KDM4EHPGDAXLMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202829-B2 Heterocyclic compound FIMECS, INC. (JP) 2025-01-21 US disclosed
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US disclosed
US-11639354-B2 Heterocyclic compound FIMECS, INC. (JP) 2023-05-02 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
EP-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 EP disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
EP-1149104-A2 PYRROLOBENZODIAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 EP disclosed
EP-1149097-A2 PYRIDOBENZODIAZEPINE AND PYRIDOBENZOXAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 EP disclosed
CN-1303371-A Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-11 CN disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-2000046225-A2 PYRIDOBENZODIAZEPINE AND PYRIDOBENZOXAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
WO-2000046228-A2 PYRROLOBENZODIAZEPINE CARBOXYAMIDE VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US 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 (9 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-20230242529-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 ALDH1A1 2510/4885KDM4E 2577/4885HPGD 947/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885KDM4E 2755/4885HPGD 178/4885
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT ALDH1A1 1463/4885KDM4E 2944/4885HPGD 201/4885
US-11639354-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 ALDH1A1 2510/4885KDM4E 2577/4885HPGD 947/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885KDM4E 2755/4885HPGD 178/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ALDH1A1 4575/4885KDM4E 1447/4885HPGD 1251/4885
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 ALDH1A1 4359/4885KDM4E 3068/4885HPGD 2490/4885
US-12202829-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 ALDH1A1 2510/4885KDM4E 2577/4885HPGD 947/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ALDH1A1 4575/4885KDM4E 1447/4885HPGD 1251/4885

“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.