SCHEMBL15947871

SCHEMBL15947871

CC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
HTR2C P28335 2/20 0.36
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
FASN P49327 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
PDE2A O00408 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7731316 0.90 ESR2 (0.41) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL7731315 0.90 ESR2 (0.41) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL15744430 0.89 ESR2 (0.36) ESR2HTR2C
SCHEMBL17548016 0.88 ESR2 (0.40) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL7731321 0.86 HTR2C (0.34) ESR2HTR2CCYP2C9PDE2A
SCHEMBL7731318 0.86 HTR2C (0.34) ESR2HTR2CCYP2C9PDE2A
SCHEMBL17548014 0.86 ESR2 (0.38) ESR2HTR2CCYP3A4CYP2C9HRH3
SCHEMBL13447438 0.86 ESR2 (0.38) ESR2HTR2CCYP3A4CYP2C9FASN
SCHEMBL15745209 0.86 ESR2 (0.34) ESR2CYP3A4CYP2C9
SCHEMBL7733221 0.85 ALDH1A1 (0.43) ESR2HTR2CCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605208-B2 Nematic liquid crystal composition DIC CORPORATION (JP) 2017-03-28 US disclosed
US-9587175-B2 Nematic liquid crystal composition DIC CORPORATION (JP) 2017-03-07 US disclosed
US-20160186059-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-06-30 US disclosed
US-9321961-B2 Nematic liquid crystal composition DIC Corporation (Tokyo) (JP) 2016-04-26 US disclosed
US-9296949-B2 Nematic liquid crystal composition and liquid crystal display element using the same DIC CORPORATION (JP) 2016-03-29 US disclosed
US-20150322343-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-11-12 US disclosed
US-20150284634-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-10-08 US disclosed
US-20150218451-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-08-06 US disclosed
US-20150203757-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-07-23 US disclosed
US-20150184076-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-07-02 US disclosed
US-20150159086-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-06-11 US disclosed
US-9039929-B2 Nematic liquid crystal composition DIC CORPORATION (JP) 2015-05-26 US disclosed
US-20150060733-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2015-03-05 US disclosed
US-20140225036-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2014-08-14 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-20160186059-A1 NEMATIC LIQUID CRYSTAL COMPOSITION DOCK5, CDKL5, NCS1 ESR2 4823/4885HTR2C 3900/4885CYP3A4 4600/4885

“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.