SCHEMBL7083112

SCHEMBL7083112

C=CCc1ncccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SYK P43405 3/20 0.44
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HTT P42858 1/20 0.39
P2RX7 Q99572 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL4615654 0.85 KDM4E (0.52) KDM4EALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL1122415 0.82 PARP1 (0.46) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17714447 0.80 L3MBTL1 (0.50) KDM4EALDH1A1HSD17B10TDP1
SCHEMBL497429 0.79 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1937751 0.79 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5196284 0.79 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28805611 0.79 KDM4E (0.38) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29900286 0.78 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10RAB9AMAPT
SCHEMBL31439135 0.77 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL353231 0.77 KDM4E (0.55) PARP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110772-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2023-06-22 WO claimed
CN-109414382-A Containing 4- (3- ethyoxyl -4- hydroxyphenyl) butyl- 2- ketone, nicotinamide compounds liquid mixture and contain the cosmetic composition of the liquid mixture 莱雅公司 2019-03-01 CN claimed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP claimed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO claimed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO claimed
US-4204065-A Soft quaternary surface active agents and method of using same INTERX RESEARCH CORPORATION (US) 1980-05-20 US claimed
WO-2024028512-A1 COMPOSITIONS COMPRISING AN ANTIMICROBIAL BOOSTING AGENT SYMRISE AG (DE) 2024-02-08 WO disclosed
WO-2023110763-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2023-06-22 WO disclosed
WO-2023110772-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2023-06-22 WO disclosed
WO-2023104924-A1 COMPOSITION COMPRISING A COMBINATION OF POLYGLYCEROL ESTERS AND A FILLER L'OREAL (FR) 2023-06-15 WO disclosed
WO-2021125708-A1 NICOTINAMIDE RIBOSIDE DERIVATIVE CONJUGATED TO FATTY AMINE 주식회사 휴메딕스 2021-06-24 WO disclosed
CN-110446487-A Contain the composition with the phenolic compound for cooperateing with anti-oxidant benefit OREAL 2019-11-12 CN disclosed
CN-109689012-A Photostable compositions and methods of use 莱雅公司 2019-04-26 CN disclosed
CN-105473126-B For cosmetic use containing there are two types of the compositions of phenolic compound 莱雅公司 2019-04-09 CN disclosed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 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 (1 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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 PARP1 912/4885KDM4E 4850/4885ALDH1A1 3603/4885

“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.