SCHEMBL779932

SCHEMBL779932

CCCC[S+]([O-])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
TP53 P04637 1/20 0.37
LTA4H P09960 2/20 0.35
PCSK9 Q8NBP7 1/20 0.35
PTGS2 P35354 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ESR1 P03372 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30828004 1.00 CES2 (0.37) CES2CES1TP53LTA4HPCSK9
SCHEMBL19403477 1.00 CES2 (0.37) CES2CES1TP53LTA4HPCSK9
SCHEMBL9760714 1.00 CES2 (0.37) CES2CES1TP53LTA4HPCSK9
SCHEMBL6002849 0.94 CES2 (0.39) CES2CES1TP53LTA4HPCSK9
SCHEMBL17817574 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2
SCHEMBL12040835 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2
SCHEMBL7329821 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2
SCHEMBL9815169 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2
SCHEMBL10357516 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2
SCHEMBL587114 0.92 CES2 (0.41) CES2CES1TP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
CN-102532368-B Rare earth catalyst and method for polymerizing conjugated diene by using same UNIV BEIJING CHEMICAL 2014-04-02 CN claimed
CN-102532368-A Rare earth catalyst and method for polymerizing conjugated diene by using same UNIV BEIJING CHEMICAL 2012-07-04 CN claimed
CN-1288222-C Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2006-12-06 CN claimed
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US claimed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN claimed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
WO-2024146005-A1 ISOBUTYLENE POLYMERIZATION INITIATION SYSTEM COMPOSITION, POLYMERIZATION METHOD AND USE 浙江信汇新材料股份有限公司 2024-07-11 WO disclosed
CN-117802060-A Sulfoxide reductase mutant and application thereof in preparation of complex group chiral sulfoxide 遵义医科大学 2024-04-02 CN disclosed
CN-117802060-A Sulfoxide reductase mutant and application thereof in preparation of complex group chiral sulfoxide 遵义医科大学 2024-04-02 CN disclosed
CN-117778339-A Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester 遵义医科大学 2024-03-29 CN disclosed
CN-116162188-B Isobutene polymerization initiation system composition, polymerization method and application 浙江信汇新材料股份有限公司 2024-01-26 CN disclosed
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US disclosed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN disclosed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 US disclosed
US-5068369-A PROCESS FOR PREPARING CHIRAL SULPHOXIDES THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1991-11-26 US disclosed
US-4990676-A Process for preparing chiral sulphoxides BRITISH PETROLEUM COMPANY P.L.C. (GB) 1991-02-05 US disclosed
EP-0336538-A1 Process for preparing chiral sulphoxides The British Petroleum Company p.l.c. (GB) 1989-10-11 EP disclosed
US-4011320-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1977-03-08 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 (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-20030102800-A1 Phosphorescent material PKD1, RPS6KA1, RPS6KA6 CES2 4818/4885CES1 4277/4885TP53 4022/4885

“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.