SCHEMBL726321

SCHEMBL726321

CC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 1/20 0.58
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.50
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NISCH Q9Y2I1 1/20 0.47
NQO2 P16083 3/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
FBP1 P09467 1/20 0.47
PRMT1 Q99873 1/20 0.45
KDM1A O60341 2/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL726320 1.00 ESR1 (0.58) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL1225178 1.00 ESR1 (0.58) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL7803180 0.95 ESR1 (0.64) ESR1ESR2ALDH1A1TSHRAKR1C3
Diphenylamine SCHEMBL10746269 0.88 ALDH1A1 (0.47) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL9806375 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL4602278 0.87 MAPT (0.59) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL8089190 0.87 ESR1 (0.80) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL6547576 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL9806371 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL8712456 0.87 ESR1 (0.80) ESR1ESR2ALDH1A1NQO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124564-A1 POLYESTER SYNTHESIS BASED ON ASPARTIC ACID MODIFICATION 元素驱动(杭州)生物科技有限公司 2025-06-19 WO claimed
WO-2025108371-A1 COPOLYMER WITH IMPROVED STRENGTH AND PREPARATION METHOD THEREFOR 元素驱动(杭州)生物科技有限公司 2025-05-30 WO claimed
WO-2025108372-A1 TEMPERATURE-RESISTANT POLYMER AND PREPARATION METHOD THEREFOR, AND USE OF CYCLIC IMIDE DIOL COMPOUND 元素驱动(杭州)生物科技有限公司 2025-05-30 WO claimed
WO-2025021165-A1 POLYMER COMPRISING ESTER-IMIDE STRUCTURAL UNIT, AND PREPARATION METHOD THEREFOR 西湖大学 2025-01-30 WO claimed
CN-116199570-B Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2024-05-03 CN claimed
CN-116199570-A Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2023-06-02 CN claimed
CN-109111915-A A kind of amino chromene flower cyanine fluorochrome and probe and its synthetic method and application 湖南大学 2019-01-01 CN claimed
CN-108601840-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2018-09-28 CN claimed
CN-103384472-B Comprise the composition of the Oxycodone prodrug of enzyme cleavable SIGNATURE THERAPEUTICS, INC. (US) 2016-01-20 CN claimed
CN-103384472-A Compositions comprising enzyme-cleavable oxycodone prodrug SIGNATURE THERAPEUTICS INC 2013-11-06 CN claimed
CN-1050377-A A kind of preparation method of diphenyl methylether WANG XIAOFENG (CN) 1991-04-03 CN claimed
US-4756989-A Aluminum or silicon substrate, copolymer resist layer comprising vinyl aromatic, ethylenically unsaturated units ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-07-12 US claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP claimed
US-4388296-A Energy-emitting latex-particulates HART HIRAM 1983-06-14 US claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP claimed