SCHEMBL12379817

SCHEMBL12379817

C=CCC1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.34
ESR2 Q92731 8/20 0.34
ESR1 P03372 6/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 4/20 0.34
SOAT1 P35610 3/20 0.34
FAAH O00519 1/20 0.32
CHRM2 P08172 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2D6 P10635 2/20 0.31
APP P05067 2/20 0.31
TMEM97 Q5BJF2 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18134255 1.00 DGAT1 (0.34) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL4549714 0.88 DGAT1 (0.37) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL9970179 0.88 DGAT1 (0.37) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL18134254 0.86 DGAT1 (0.34) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL802796 0.85 CYP3A4 (0.33) CYP3A4CYP2C9CYP2D6APPCYP2C19
SCHEMBL26167206 0.85 CYP3A4 (0.38) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL18134256 0.84 S1PR1 (0.33) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL16803052 0.84 ESR2 (0.37) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL16803049 0.82 CYP2C9 (0.47) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL26672922 0.81 CYP3A4 (0.36) DGAT1ESR2ESR1CYP3A4CYP2C9

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-20170292072-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-10-12 US disclosed
US-20170233652-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20160333270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-11-17 US disclosed
US-20160298033-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-9093643-B2 Deformable material and actuator SEIKO EPSON CORPORATION (JP) 2015-07-28 US disclosed
US-8436117-B2 Stimuli responsive compound, stimuli responsive compound polymer, actuator and method for manufacturing stimuli responsive compound SEIKO EPSON CORPORATION (JP) 2013-05-07 US disclosed
US-20110196120-A1 STIMULI RESPONSIVE COMPOUND, STIMULI RESPONSIVE COMPOUND POLYMER, ACTUATOR AND METHOD FOR MANUFACTURING STIMULI RESPONSIVE COMPOUND SEIKO EPSON CORPORATION (JP) 2011-08-11 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-20110196120-A1 STIMULI RESPONSIVE COMPOUND, STIMULI RESPONSIVE COMPOUND POLYMER, ACTUATOR AND METHOD FOR MANUFACTURING STIMULI RESPONSIVE COMPOUND PUF60, RPSA, RPS16 DGAT1 1463/4885ESR2 1798/4885ESR1 1414/4885

“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.