SCHEMBL725762

SCHEMBL725762

CC(C)CCC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.58
L3MBTL1 Q9Y468 4/20 0.57
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
LMNA P02545 3/20 0.57
NR4A2 P43354 1/20 0.57
KMT2A Q03164 2/20 0.55
MAPK1 P28482 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HDAC1 Q13547 2/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 1/20 0.52

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
Benzene SCHEMBL27311002 1.00 TRPA1 (0.58) TRPA1L3MBTL1MAPTTDP1LMNA
SCHEMBL13220674 0.89 SMN1; SMN2 (0.66) TRPA1L3MBTL1MAPTLMNAHPGD
SCHEMBL6604832 0.88 L3MBTL1 (0.64) TRPA1L3MBTL1MAPTTDP1LMNA
SCHEMBL12464189 0.86 TDP1 (0.68) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL10473788 0.86 CYP3A4 (0.59) TRPA1L3MBTL1MAPTTDP1LMNA
SCHEMBL1572261 0.86 CYP3A4 (0.59) TRPA1L3MBTL1MAPTTDP1LMNA
SCHEMBL9181060 0.85 KMT2A (0.55) TRPA1L3MBTL1MAPTTDP1LMNA
SCHEMBL1122004 0.85 L3MBTL1 (0.71) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL17867451 0.85 L3MBTL1 (0.71) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL23782371 0.84 HPGD (0.54) TRPA1L3MBTL1MAPTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114042455-B Carbonyl selective hydrogenation catalyst and preparation method and application thereof 浙江新和成股份有限公司 2024-03-26 CN claimed
CN-116023201-B Preparation method of aromatic alcohol 浙江新化化工股份有限公司 2024-03-15 CN claimed
CN-117049958-A Method and reactor for synthesizing ibuprofen from isobutylbenzene 青岛科技大学 2023-11-14 CN claimed
CN-116023201-A Preparation method of aromatic alcohol 浙江新化化工股份有限公司 2023-04-28 CN claimed
CN-115487866-A Covalent organic framework material coupled nano metal catalyst and preparation method thereof 浙江大学 2022-12-20 CN claimed
CN-110218201-A 1,4- benzothiazine and derivative and its synthetic method 湘潭大学 2019-09-10 CN claimed
CN-109464412-A A kind of Nuprin Tablets and preparation method thereof that moisture resistance is high 安徽东盛友邦制药有限公司 2019-03-15 CN claimed
CN-109400518-A Polysubstituted 6- aryl benzo [a] carbazole and derivative and its synthetic method 湘潭大学 2019-03-01 CN claimed
CN-107235990-B Polysubstituted indoles bithiophene and derivative and its synthetic method 湘潭大学 2019-01-29 CN claimed
CN-108997329-A Polysubstituted 3-(3- benzo [b] selenophen base) -1H-2- (hetero) aryl indole and derivative and its synthetic method 湘潭大学 2018-12-14 CN claimed
US-7087791-B2 Catalysed acylation of alkylated benzene derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL REASEARCH (IN) 2006-08-08 US claimed
EP-1670738-A1 CATALYSED ACYLATION OF ALKYLATED BENZENE DERIVATIVES Council of Scientific and Industrial Research (IN) 2006-06-21 EP claimed
US-20050171385-A1 CATALYSED ACYLATION OF ALKYLATED BENZENE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-08-04 US claimed
WO-2005030691-A1 CATALYSED ACYLATION OF ALKYLATED BENZENE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-04-07 WO claimed
CN-1161441-C electrostatic aerosol composition �׿��ر���˹��(Ӣ��)���޹�˾ 2004-08-11 CN claimed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP claimed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US claimed
CN-1391599-A electrostatic aerosol composition RECKITT BENCKISER UK LTD (GB) 2003-01-15 CN claimed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO claimed
EP-0488638-B1 BF3 catalyzed acetylation of butylbenzene HOECHST CELANESE CORP (US) 1997-01-02 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 (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-20050171385-A1 CATALYSED ACYLATION OF ALKYLATED BENZENE DERIVATIVES MLLT1, ARSA, ENY2 TRPA1 506/4885L3MBTL1 365/4885MAPT 4770/4885

“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.