SCHEMBL233233

SCHEMBL233233

[c]1ccccc1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.39
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GFER P55789 1/20 0.39
KEAP1 Q14145 1/20 0.38
L3MBTL1 Q9Y468 7/20 0.34
GAA P10253 3/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
GLA P06280 2/20 0.34
ALOX15 P16050 4/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL159767 0.98 HPGD (0.42) HPGDHSD17B10ALDH1A1TSHRMAPT
SCHEMBL114701 0.95 MAPK1 (0.34) HPGDHSD17B10ALDH1A1TSHRMAPT
SCHEMBL8961761 0.91 MAPT (0.31) MAPTGAASMN1; SMN2LMNARAB9A
SCHEMBL188699 0.81 ADRB1 (0.50) HPGDHSD17B10ALDH1A1TSHRMAPT
SCHEMBL1852924 0.81 ADRA2C (0.44) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL3213064 0.81 AR (0.37) ALDH1A1MAPTL3MBTL1GAACYP1A2
SCHEMBL189494 0.81 LMNA (0.50) HPGDHSD17B10ALDH1A1TSHRMAPT
SCHEMBL5655784 0.79 KCNA3 (0.38) ALDH1A1MAPTMAPK1L3MBTL1GAA
SCHEMBL5423827 0.79 KMT2A (0.50) HPGDHSD17B10ALDH1A1TSHRMAPT
SCHEMBL5657586 0.78 KDM4E (0.39) ALDH1A1KDM4ECYP1A2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128257-B 1-phenyl-4-pentene-1-one derivative and synthesis method and application thereof 华东师范大学 2021-10-15 CN claimed
US-10906919-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2021-02-02 US claimed
EP-3143060-B1 CATALYSTS FOR THE SYNTHESIS OF OXAZOLIDINONE COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2020-06-24 EP claimed
CN-106459331-B For synthesizing the catalyst of Oxazolidinone compound 科思创德国股份有限公司 2019-09-13 CN claimed
CN-110214133-A N- { [2- (piperidin-1-yl) phenyl ] (phenyl) methyl } -2- (3-oxo-3, 4-dihydro-2H-1, 4-benzoxazin-7-yl) acetamide derivatives and related compounds as ROR γ modulators for the treatment of autoimmune diseases 基恩菲特公司 2019-09-06 CN claimed
CN-110128257-A 1-phenyl-4-pentene-1-one derivative and synthesis method and application thereof 华东师范大学 2019-08-16 CN claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN claimed
CN-108383771-A Chiral 3,3- bis- replaces 1-isoindolinone derivative and its synthetic method and application 华东师范大学 2018-08-10 CN claimed
EP-0884367-B1 Light-writable data storage media containing cationic diphenylamine dyes BAYER AG (DE) 2003-08-13 EP claimed
WO-2003053443-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-07-03 WO claimed
US-20030109518-A1 Substituted 1,4-benzodiazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-12 US claimed
WO-2003041715-A1 SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-22 WO claimed
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 claimed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP claimed
US-5952475-A CATIONIC THIADIAZOLEDIPHENYLAMINE DYES FOR USE IN INKJET PRINTING AND IN LIGHT-WRITABLE DATA STORAGE MEDIA AND IN DYE TRANSFER FILMS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-14 US claimed
WO-1999002532-A2 PARTIALLY HYDROGENATED POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0884367-A2 Cationic diphenylamine dyestuffs and their anhydrobases BAYER AG (DE) 1998-12-16 EP claimed
EP-0051990-B1 BIOLOGICALLY ACTIVE HETEROBICYCLIC HYDROXIMIDATES AND THIOLHYDROXIMIDATES AND CARBAMATE ESTER DERIVATIVES THEREOF SDS BIOTECH CORPORATION (US) 1986-01-02 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-10906919-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A HPGD 90/4885HSD17B10 1785/4885ALDH1A1 367/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 HPGD 2786/4885HSD17B10 2834/4885ALDH1A1 373/4885
US-20030109518-A1 Substituted 1,4-benzodiazepines and uses thereof MDM2, CBR1, ADRM1 HPGD 1542/4885HSD17B10 627/4885ALDH1A1 1380/4885

“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.