SCHEMBL17830631

SCHEMBL17830631

CCCCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.40
CES2 O00748 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.33
FAAH O00519 7/20 0.32
LPAR3 Q9UBY5 6/20 0.32
LPAR2 Q9HBW0 5/20 0.32
LPAR1 Q92633 2/20 0.32
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17830654 0.98 CES1 (0.39) CES1CES2MEN1KMT2ATHRB
SCHEMBL17830493 0.85 LMNA (0.42) CES1CES2MEN1KMT2ATHRB
SCHEMBL29132605 0.81 CES1 (0.44) CES1CES2MEN1KMT2ATHRB
SCHEMBL7558673 0.79 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL7566221 0.79 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL7558796 0.79 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL28697618 0.79 CES1 (0.46) CES1CES2MEN1KMT2ATHRB
SCHEMBL17830488 0.79 CES1 (0.56) CES1CES2MEN1KMT2ATHRB
SCHEMBL17830475 0.79 CES1 (0.56) CES1CES2MEN1KMT2ATHRB
SCHEMBL17830495 0.79 CES1 (0.56) CES1CES2MEN1KMT2ATHRB

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 CES1 1055/4885CES2 1645/4885MEN1 1600/4885

“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.