SCHEMBL7717102

SCHEMBL7717102

COS(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
ACHE P22303 2/20 0.40
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL12238362 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9RECQLTDP1
Ammonia Solution, Strong SCHEMBL27972911 0.98 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9RECQLTDP1
Acetonitrile SCHEMBL28928718 0.89 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9RECQLTDP1
SCHEMBL10886210 0.82 RECQL (0.50) ALDH1A1CYP3A4CYP2C9RECQLTDP1
SCHEMBL23072800 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9RECQLTDP1
SCHEMBL12354031 0.78 CYP3A4 (0.45) ALDH1A1CYP3A4CYP2C9RECQLTDP1
SCHEMBL14305114 0.78 ALDH1A1 (0.38) ALDH1A1MAPTLMNACES2CES1
SCHEMBL8151621 0.78 NPC1 (0.36) ALDH1A1ACHECYP2C19CYP1A2TSHR
SCHEMBL20921261 0.78 CA1 (0.52) ALDH1A1CYP3A4RECQLTDP1ACHE
SCHEMBL25665734 0.78 CYP3A4 (0.45) ALDH1A1CYP3A4CYP2C9RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025046071-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SRL (BE) 2025-03-06 WO claimed
CN-114460203-B Method for simultaneously detecting methyl p-toluenesulfonate, ethyl p-toluenesulfonate and isopropyl p-toluenesulfonate in medicine 浙江海正药业股份有限公司 2023-12-22 CN claimed
CN-114460203-A Method for simultaneously detecting methyl p-toluenesulfinate, ethyl p-toluenesulfinate and isopropyl p-toluenesulfinate in medicine 浙江海正药业股份有限公司 2022-05-10 CN claimed
CN-113461393-A Dry-mixed self-leveling mortar 龙南县彩艺装饰材料厂 2021-10-01 CN claimed
US-11053273-B2 Process for the production of estetrol intermediates ESTETRA S.P.R.L. (BE) 2021-07-06 US claimed
EP-2714712-B1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SPRL (BE) 2016-08-24 EP claimed
CN-103619867-B For generation of the method for oestetrol intermediate ESTETRA S.A. (BE) 2015-12-23 CN claimed
US-20140107091-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA S.A. (BE) 2014-04-17 US claimed
CN-103619867-A Process for the production of estetrol intermediates ESTETRA S A 2014-03-05 CN claimed
WO-2012164095-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA S.A. (BE) 2012-12-06 WO claimed
US-6380397-B1 HALOGENATION AN OXOESTER COMPOUND; HYDROLYSIS AND DECARBOXYLATION; ALKYLATION; AMINATION; REACTING OXALY CHLORIDE ELI LILLY AND COMPANY 2002-04-30 US claimed
US-20250313592-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SRL (BE) 2025-10-09 US disclosed
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO disclosed
WO-2025046071-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SRL (BE) 2025-03-06 WO disclosed
EP-4514816-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES Estetra SRL (BE) 2025-03-05 EP disclosed
US-4717756-A HYDROPEROXIDE INITIATOR, SULFUR REDUCTANT, HYDROGEN HALOGENIDE SALT, COPPER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-05 US disclosed
EP-0231395-A1 PROCESS FOR PRODUCING METHACRYLATE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-12 EP disclosed
EP-0217545-A1 Method for the production of polymethacrylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-08 EP disclosed
EP-0214815-A1 Method for in-mold polymerization of unsaturated compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-03-18 EP disclosed
EP-0212980-A2 Method for the production of polymethyl methacrylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-03-04 EP 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 (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-11053273-B2 Process for the production of estetrol intermediates SULT1A1, DHCR7, SULT1E1 ALDH1A1 361/4885CYP3A4 6/4885CYP2C9 87/4885
US-20250313592-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES SULT1A1, SRD5A2, SULT1E1 ALDH1A1 155/4885CYP3A4 59/4885CYP2C9 106/4885
US-20140107091-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES DHCR7, SULT1A1, SULT1E1 ALDH1A1 449/4885CYP3A4 10/4885CYP2C9 78/4885

“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.