SCHEMBL19796802

SCHEMBL19796802

C=C(C)C(=O)OCc1cc(CCCO)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1CC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
SPHK1 Q9NYA1 6/20 0.35
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ESR2 Q92731 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
KMT2A Q03164 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
SCHEMBL19797118 0.93 FFAR4 (0.41) FFAR4SPHK1ITGB3ITGA2BTHRA
SCHEMBL19007882 0.92 FFAR4 (0.43) FFAR4SPHK1CYP2C9CYP3A4CYP2C8
SCHEMBL19797079 0.88 FFAR4 (0.40) FFAR4SPHK1CYP2C9CYP3A4CYP2C8
SCHEMBL19797058 0.88 FFAR4 (0.40) FFAR4SPHK1CYP2C9CYP3A4CYP2C8
SCHEMBL19804628 0.88 FFAR4 (0.43) FFAR4CYP2C9CYP3A4S1PR3ALDH1A1
SCHEMBL19797084 0.87 FFAR4 (0.44) FFAR4SPHK1CYP2C9
SCHEMBL19796864 0.86 FFAR4 (0.40) FFAR4SPHK1CYP2C9CYP3A4CYP2C8
SCHEMBL19797119 0.86 FFAR4 (0.38) FFAR4SPHK1CYP2C9CYP3A4CYP2C8
SCHEMBL19797117 0.85 FFAR4 (0.34) FFAR4SPHK1ITGB3ITGA2BPPARG
SCHEMBL19796805 0.85 FFAR4 (0.38) FFAR4SPHK1CYP2C9CYP3A4CYP2C8

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 FFAR4 1715/4885SPHK1 608/4885CYP2C9 4202/4885

“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.