SCHEMBL19007882

SCHEMBL19007882

C=C(C)C(=O)OCc1cc(CCCO)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.43
SPHK1 Q9NYA1 6/20 0.37
CYP2C9 P11712 2/20 0.34
S1PR3 Q99500 3/20 0.33
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
ESR2 Q92731 1/20 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
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19797058 0.95 FFAR4 (0.40) FFAR4SPHK1CYP2C9S1PR3S1PR1
SCHEMBL19797084 0.95 FFAR4 (0.44) FFAR4SPHK1CYP2C9
SCHEMBL19796805 0.92 FFAR4 (0.38) FFAR4SPHK1CYP2C9S1PR3CYP3A4
SCHEMBL19796802 0.92 FFAR4 (0.36) FFAR4SPHK1CYP2C9S1PR3ESR2
SCHEMBL19797118 0.92 FFAR4 (0.41) FFAR4SPHK1
SCHEMBL19797057 0.91 FFAR4 (0.39) FFAR4SPHK1CYP2C9S1PR3S1PR1
SCHEMBL19797107 0.91 FFAR4 (0.43) FFAR4SPHK1CYP2C9ESR2ALDH1A1
SCHEMBL19796864 0.89 FFAR4 (0.40) FFAR4SPHK1CYP2C9S1PR3S1PR1
SCHEMBL19797119 0.88 FFAR4 (0.38) FFAR4SPHK1CYP2C9S1PR3S1PR1
SCHEMBL19796791 0.88 FFAR4 (0.36) FFAR4SPHK1CYP2C9S1PR3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689576-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-06-23 US disclosed
US-10385269-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-08-20 US disclosed
US-20180208849-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180208849-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-26 US disclosed
EP-3327101-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-05-30 EP disclosed
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-20170174993-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-06-22 US disclosed
US-20170174993-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-06-22 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.