SCHEMBL3547466

SCHEMBL3547466

CCCc1c[c]ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.43
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
ALOX5 P09917 2/20 0.38
TAAR1 Q96RJ0 2/20 0.36
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PTGS2 P35354 1/20 0.34
ADRA1A P35348 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL11560689 0.87 ALOX5 (0.49) ALOX5PTGS2ELANE
SCHEMBL8475524 0.85 HMGCR (0.43) HMGCRGABRA1GABRB2ALOX5TAAR1
SCHEMBL457842 0.84 TAAR1 (0.37) TAAR1PTGS2ALDH1A1
SCHEMBL7388700 0.83 TAAR1 (0.35) TAAR1ADRA1ASMN1; SMN2SIGMAR1
SCHEMBL27588198 0.83 TAAR1 (0.35) TAAR1ADRA1AGAAALDH1A1SIGMAR1
SCHEMBL4601776 0.83 TAAR1 (0.35) TAAR1ADRA1AGAAALDH1A1SIGMAR1
SCHEMBL21268391 0.80 CYP1A2 (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL6313680 0.80 HTR2A (0.46)
SCHEMBL3360209 0.80 TAAR1 (0.33) ALOX5TAAR1PTGS2ADRA1ASMN1; SMN2
SCHEMBL2439647 0.79 CTSS (0.34)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
EP-4065566-A1 TRPM8 MODULATORS Givaudan SA (CH) 2022-10-05 EP disclosed
WO-2021105261-A1 TRPM8 MODULATORS GIVAUDAN SA (CH) 2021-06-03 WO disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-0649420-B1 PROCESS FOR THE PREPARATION OF 3,3-DIARYL ACRYLIC ACID AMIDES SHELL INT RESEARCH (NL) 1997-05-02 EP disclosed
EP-0726257-A1 1-(Hetero)Arylvinyl-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders, and benzopyrylium intermediates for their preparation EGIS GYOGYSZERGYAR RT. (HU) 1996-08-14 EP disclosed
US-5495019-A Process for the preparation of 3,3-diaryl acrylic acid amides AMERICAN CYANAMID COMPANY (US) 1996-02-27 US disclosed
EP-0649420-A1 NEW PROCESS FOR THE PREPARATION OF 3,3-DIARYL ACRYLIC ACID AMIDES. SHELL INT RESEARCH (NL) 1995-04-26 EP disclosed
EP-0294907-B1 Process for the preparation of 3,3-diaryl acrylic acid amides SHELL INT RESEARCH (NL) 1994-06-01 EP disclosed
WO-1994001424-A1 NEW PROCESS FOR THE PREPARATION OF 3,3-DIARYL ACRYLIC ACID AMIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-01-20 WO disclosed
US-4933449-A Preparing 3-(4 chlorophenyl)-3-(3,4-dimethoxyphenyl) acrylic acid morpholide in the presence of potassium tert-butylate SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1990-06-12 US disclosed
EP-0294907-A1 Process for the preparation of 3,3-diaryl acrylic acid amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-12-14 EP disclosed
US-4173630-A N2 Arylsulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-11-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE HMGCR 2117/4885GABRA1 3960/4885GABRB2 3250/4885

“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.