SCHEMBL301100

SCHEMBL301100

CCC(=O)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
HDAC1 Q13547 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 3/20 0.50
CA1 P00915 2/20 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
Ethylene SCHEMBL11738819 0.96 GSK3B (0.59) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL8987897 0.94 SMN1; SMN2 (0.68) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL11780135 0.90 GSK3B (0.57) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL9342342 0.88 GSK3B (0.52) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL6142684 0.88 SRD5A2 (0.53) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL8051337 0.87 SMN1; SMN2 (0.70) GSK3BSMN1; SMN2L3MBTL1MAPTHTT
Pyridine SCHEMBL28895312 0.85 MAPT (0.53) GSK3BHDAC1HDAC3HDAC2HDAC8
SCHEMBL21202169 0.83 GSK3B (0.55) GSK3BHDAC1HDAC3HDAC2HDAC8
Ethyne SCHEMBL8050785 0.82 SMN1; SMN2 (0.64) GSK3BSMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL2116189 0.82 HSD17B3 (0.67) GSK3BHDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956932-A Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2022-08-30 CN claimed
CN-110092724-A A kind of preparation method of N, N- dimethyl-1-naphthylamine class compound 湖南大学 2019-08-06 CN claimed
CN-106831784-B The method of one pot of tandem reaction synthesis tryptamines ketone alkaloid 河南师范大学 2019-07-19 CN claimed
WO-2019062561-A1 SYNTHESIS METHODS OF FIROCOXIB AND INTERMEDIATE THEREOF SICHUAN QINGMU PHARMACEUTICAL CO., LTD. (CN) 2019-04-04 WO claimed
CN-106083686-B The method of alpha-brominated acetophenone oxime ether synthesis 2,4- diaryl pyrrole class compound 苏州大学 2019-01-22 CN claimed
CN-105924325-B A kind of preparation method of 6,6,12,12- tetramethyl -6,12- dihydro indeno [1,2-b] fluorenes 东阳市天齐知识产权运营有限公司 2018-11-30 CN claimed
CN-106083810-A A kind of preparation method of polysubstituted thiochromanone derivant 青岛科技大学 2016-11-09 CN claimed
CN-106008137-A Preparation method of 6,6,12,12-tetramethyl-6,12-dihydroindeno[1,2-b] fluorene 李金铃 2016-10-12 CN claimed
CN-105924325-A Preparation method of 6,6,12,12-tetramethyl-6,12-dihydro indeno [1,2-b] fluorene 李金铃 2016-09-07 CN claimed
CN-105017012-A Acetoxylation method of benzyl groups UNIV JIANGXI NORMAL 2015-11-04 CN claimed
CN-104803816-A Preparation method of carboxylic ester UNIV EAST CHINA NORMAL 2015-07-29 CN claimed
CN-104508116-A Pesticidal flavobacterium strains and bioactive compositions, metabolites and uses MARRONE BIO INNOVATIONS INC 2015-04-08 CN claimed
CN-104177298-A 4, 4-disubstituted-4, 5-dihydro-1H-imidazole-5-one and derivatives thereof as well as synthesis method thereof UNIV XIANGTAN 2014-12-03 CN claimed
CN-102341494-B Transaminase polypeptides CODEXIS, INC. (US) 2014-10-15 CN claimed
CN-102341494-A TRANSAMINASE POLYPEPTIDES CODEXIS INC 2012-02-01 CN claimed
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US claimed
CN-1103781-A Use of phenalkylamines HOFFMANN LA ROCHE (CH) 1995-06-21 CN claimed
US-3956153-A MINIMIZATION OF UNDERCOOLING BIO-MEDICAL SCIENCES, INC. (US) 1976-05-11 US claimed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 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 (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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity GABRB2, HRH3, HRH4 GSK3B 2241/4885HDAC1 1038/4885HDAC3 311/4885
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES GOT1, OAT, PEPD GSK3B 1701/4885HDAC1 4268/4885HDAC3 4193/4885

“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.