SCHEMBL12625005

SCHEMBL12625005

CCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FASN P49327 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30
CCR2 P41597 3/20 0.30
CETP P11597 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
SCHEMBL16258097 0.97 FASN (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL12625784 0.95 FASN (0.33) GRM2ALOX5APFEN1FASNCYP3A4
SCHEMBL12625823 0.93 FASN (0.31) FASN
SCHEMBL17070262 0.93 CYP3A4 (0.33) FASNCYP3A4CYP2C9APP
SCHEMBL12625007 0.93 CYP2C9 (0.34) GRM2ALOX5APFEN1FASNCYP3A4
SCHEMBL12625008 0.91 GRM2 (0.32) GRM2
SCHEMBL12625802 0.91 CYP3A4 (0.34) GRM2ALOX5APFEN1FASNCYP3A4
SCHEMBL2393972 0.91 FASN (0.36) FASNCYP3A4CYP2C9APP
SCHEMBL12625106 0.91 GRM2 (0.30) GRM2
SCHEMBL1814954 0.90 GRM2 (0.31) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B GRM2 4456/4885ALOX5AP 403/4885FEN1 2243/4885

“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.