SCHEMBL12379816

SCHEMBL12379816

C=CCC1CCC(c2ccc(-c3cc(F)c(C)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.33
ESR1 P03372 6/20 0.33
CYP2C9 P11712 4/20 0.33
CYP3A4 P08684 3/20 0.33
DGAT1 O75907 5/20 0.32
SOAT1 P35610 3/20 0.31
FAAH O00519 1/20 0.31
CHRM2 P08172 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.30
APP P05067 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
SCHEMBL11032396 0.86 CYP17A1 (0.35) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL11032393 0.86 CYP17A1 (0.35) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL19844716 0.85 NPC1 (0.33) ESR2CYP2C9CYP3A4NPC1RAB9A
SCHEMBL11217896 0.84 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL11217898 0.84 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL19844735 0.84 ESR2 (0.33) ESR2CYP2C9DGAT1SOAT1FAAH
SCHEMBL7736554 0.83 FASN (0.35) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL7736550 0.83 FASN (0.35) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL13369630 0.83 ALDH1A1 (0.38) ESR2ESR1CYP2C9CYP3A4DGAT1
SCHEMBL11033780 0.83 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR2 1798/4885ESR1 1414/4885CYP2C9 3697/4885

“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.