SCHEMBL17830484

SCHEMBL17830484

CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
GGPS1 O95749 3/20 0.38
CYP1A2 P05177 1/20 0.38
FDPS P14324 4/20 0.36

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
SCHEMBL17830486 1.00 CES2 (0.44) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830477 1.00 CES2 (0.44) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830472 1.00 CES2 (0.44) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830527 1.00 CES2 (0.44) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830617 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830674 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830613 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830669 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830630 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10
SCHEMBL17830666 0.98 CES2 (0.42) CES2LPAR1LPAR3LMNAHSD17B10

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-9850428-B2 Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-12-26 US disclosed
US-9850428-B2 Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-12-26 US disclosed
US-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 US disclosed
US-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 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-20160168466-A1 COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, F12, C1S CES2 1645/4885LPAR1 62/4885LPAR3 330/4885

“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.