SCHEMBL9623535

SCHEMBL9623535

CCC#CCC(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
PKM P14618 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 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
SCHEMBL9624003 0.91 MMP8 (0.40) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL4289218 0.86 MMP8 (0.42) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL4302205 0.85 MMP8 (0.41) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL1265697 0.84 CYP4F2 (0.46) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL15551008 0.84 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL20211699 0.78 MEN1 (0.53) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL9748657 0.78 MMP8 (0.44) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7111727 0.74 TSHR (0.33) ALDH1A1TSHR
SCHEMBL7512223 0.73 MMP8 (0.52) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL1036163 0.72 PKM (0.50) MMP8MEN1KMT2ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345678-B2 Prostanoid receptor agonist compounds and methods of use for same ALLERGAN, INC. (US) 2016-05-24 US disclosed
WO-2014164886-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND THEIR USE ALLERGAN, INC. (US) 2014-10-09 WO disclosed
US-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME ALLERGAN, INC. (US) 2014-09-18 US disclosed
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 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 (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-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME PTGIR, PTGER1, PTGDR MMP8 702/4885MEN1 4378/4885KMT2A 2960/4885

“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.