SCHEMBL3131297

SCHEMBL3131297

COCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
STAT3 P40763 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
VDR P11473 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL3315459 0.90 GAA (0.52) GAASTAT3ALDH1A1CYP3A4CYP2C9
Fluoride SCHEMBL31533364 0.88 GAA (0.50) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL11604749 0.86 GAA (0.48) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL10020918 0.84 ALDH1A1 (0.45) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL15000834 0.83 ALDH1A1 (0.54) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL85631 0.82 ALDH1A1 (0.50) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL15661681 0.82 GAA (0.50) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL3133897 0.82 PSIP1 (0.45) ALDH1A1LMNAHPGDCA1CA9
SCHEMBL2627777 0.81 ALDH1A1 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL18125563 0.81 ALDH1A1 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543243-B1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES AQDOT LTD (GB) 2022-02-02 EP claimed
CN-110099904-A Process for preparing cucurbituril derivatives 爱客多有限公司 2019-08-06 CN claimed
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US claimed
US-20040167358-A1 Method and reagents for N-alkylating ureides GUTMAN DANIELA (IL) 2004-08-26 US claimed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP claimed
EP-1342718-A1 Method and reagents for n-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2003-09-10 EP claimed
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-23 US claimed
CN-1273581-A Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2000-11-15 CN claimed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 US claimed
US-4247461-A Esterification process using methoxymethyl-P-toluenesulfonate BRISTOL-MYERS COMPANY (US) 1981-01-27 US claimed
US-4219495-A ESTERIFYING AGENT FOR CEPHALOSPORIN AND PENICILLIN CARBOXYL GROUPS BRISTOL-MYERS COMPANY (US) 1980-08-26 US claimed
CN-119569637-A Method for synthesizing 2, 3-trimethyl indole quaternary ammonium salt by one-pot process 中国乐凯集团有限公司 2025-03-07 CN disclosed
US-11753547-B2 Near-infrared absorbing composition, near-infrared absorbing film, and image sensor for solid-state imaging element Konica Minolta, Inc. (JP) 2023-09-12 US disclosed
CN-110099904-A Process for preparing cucurbituril derivatives 爱客多有限公司 2019-08-06 CN disclosed
US-10265325-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment NEURODYN LIFE SCIENCES INC. (CA) 2019-04-23 US disclosed
US-4247461-A Esterification process using methoxymethyl-P-toluenesulfonate BRISTOL-MYERS COMPANY (US) 1981-01-27 US disclosed
US-4247461-A Esterification process using methoxymethyl-P-toluenesulfonate BRISTOL-MYERS COMPANY (US) 1981-01-27 US disclosed
US-4219495-A ESTERIFYING AGENT FOR CEPHALOSPORIN AND PENICILLIN CARBOXYL GROUPS BRISTOL-MYERS COMPANY (US) 1980-08-26 US disclosed
US-4219495-A ESTERIFYING AGENT FOR CEPHALOSPORIN AND PENICILLIN CARBOXYL GROUPS BRISTOL-MYERS COMPANY (US) 1980-08-26 US disclosed
US-4219495-A ESTERIFYING AGENT FOR CEPHALOSPORIN AND PENICILLIN CARBOXYL GROUPS BRISTOL-MYERS COMPANY (US) 1980-08-26 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 (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-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid MGMT, ALKBH3, ALKBH5 GAA 2329/4885STAT3 3526/4885ALDH1A1 406/4885
US-10265325-B2 Cholinergic enhancers with improved blood-brain barrier permeability for the treatment of diseases accompanied by cognitive impairment CHAT, SLC18A3, CHRNB2 GAA 453/4885STAT3 3054/4885ALDH1A1 4471/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 GAA 2491/4885STAT3 4018/4885ALDH1A1 839/4885

“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.