SCHEMBL8772674

SCHEMBL8772674

c1ccc(C2(c3ccccc3)CCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.61
MEN1 O00255 1/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 1/20 0.58
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
GRIN1 Q05586 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
HTR2A P28223 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL7387505 0.97 OPRM1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL827795 0.94 OPRM1 (0.61) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL30877902 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL54982 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL28378542 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL24157288 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL30877914 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL30078304 0.92 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AESR1
SCHEMBL1515174 0.89 ESR1 (0.56) OPRM1MEN1CYP2C9KMT2AESR1
Hydrogen Peroxide SCHEMBL2349581 0.89 ESR1 (0.62) OPRM1MEN1CYP2C9KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 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-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-11026910-B2 α- and γ-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-06-08 US disclosed
EP-2874987-B1 alpha-AND gamma-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2020-03-25 EP disclosed
US-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-07-04 US disclosed
CN-109415295-A α-truxillic acid derivative and its pharmaceutical composition 纽约州立大学研究基金会 2019-03-01 CN disclosed
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-08-03 US disclosed
US-9604904-B2 Alpha- and gamma-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-03-28 US disclosed
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-07-02 US disclosed
EP-2874987-A1 alpha-AND gamma-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF The Research Foundation Of State University Of New York (US) 2015-05-27 EP disclosed
US-4486426-A BACTERICIDAL ANTIBIOTICS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP disclosed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed
US-4035426-A Diarylcyclobutanes MEAD JOHNSON & COMPANY (US) 1977-07-12 US disclosed
US-3939196-A Diarylcyclobutanes MEAD JOHNSON & COMPANY (US) 1976-02-17 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 (4 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-20190201365-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 OPRM1 791/4885MEN1 4872/4885CYP2C9 2127/4885
US-11026910-B2 α- and γ-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 OPRM1 851/4885MEN1 4873/4885CYP2C9 1973/4885
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 OPRM1 791/4885MEN1 4872/4885CYP2C9 2127/4885
US-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 OPRM1 791/4885MEN1 4872/4885CYP2C9 2127/4885

“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.