SCHEMBL20102580

SCHEMBL20102580

CCCCCC1CCC(c2ccc(-c3ccc4c(c3F)-c3c-4cc(C)c(F)c3F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 2/20 0.34
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
MAPT P10636 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SPHK1 Q9NYA1 6/20 0.33
CYP3A4 P08684 2/20 0.32
P2RY14 Q15391 1/20 0.31
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 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
SCHEMBL20102577 0.87 MEN1 (0.34) MEN1KMT2AMAPK1CYP2C9DGAT1
SCHEMBL20102612 0.86 SPHK1 (0.36) MEN1KMT2AMAPK1CYP2C9MAPT
SCHEMBL20102581 0.86 DGAT1 (0.36) DGAT1MAPTGAA
SCHEMBL4401705 0.86 CYP2C9 (0.39) MEN1KMT2AMAPK1CYP2C9DGAT1
SCHEMBL22277193 0.85 CYP2C9 (0.38) MEN1KMT2AMAPK1CYP2C9DGAT1
SCHEMBL20102584 0.85 FASN (0.33)
SCHEMBL20102479 0.84 OPRL1 (0.37) MEN1KMT2AMAPTGAA
SCHEMBL20111334 0.84 DGAT1 (0.34) MEN1KMT2AMAPK1CYP2C9DGAT1
SCHEMBL22881576 0.83 CYP2C9 (0.39) MEN1KMT2AMAPK1CYP2C9DGAT1
SCHEMBL20102609 0.82 SPHK1 (0.37) CYP2C9SPHK1CYP3A4CYP2C8S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S MEN1 2571/4885KMT2A 2759/4885MAPK1 1115/4885

“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.