SCHEMBL14732240

SCHEMBL14732240

CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
GGPS1 O95749 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 6/20 0.37

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
SCHEMBL14732346 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732419 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732352 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732356 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732353 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732354 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732357 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732349 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732362 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL14732363 1.00 CES2 (0.45) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999196-B2 Liquid crystal compound having perfluoroalkyl chain, and liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999196-B2 Liquid crystal compound having perfluoroalkyl chain, and liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20130048913-A1 LIQUID CRYSTAL COMPOUND HAVING PERFLUOROALKYL CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-02-28 US disclosed
US-20130048913-A1 LIQUID CRYSTAL COMPOUND HAVING PERFLUOROALKYL CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-02-28 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-20130048913-A1 LIQUID CRYSTAL COMPOUND HAVING PERFLUOROALKYL CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE FFAR2, RCC2, NPFFR2 CES2 361/4885LPAR1 90/4885LPAR3 103/4885

“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.