SCHEMBL19796785

SCHEMBL19796785

C=C(C)C(=O)OCCc1cc(CO)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.37
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
SPHK1 Q9NYA1 6/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
FSHR P23945 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19796791 0.94 FFAR4 (0.36) FFAR4TSHRCYP2C9SPHK1ALDH1A1
SCHEMBL19796805 0.93 FFAR4 (0.38) FFAR4TSHRCYP2C9SPHK1ALDH1A1
SCHEMBL19797055 0.93 RARB (0.33) FFAR4TSHRCYP2C9SPHK1ALDH1A1
SCHEMBL19796870 0.90 FFAR4 (0.36) FFAR4TSHRCYP2C9SPHK1DGAT1
SCHEMBL19797080 0.90 FFAR4 (0.38) FFAR4TSHRCYP2C9SPHK1DGAT1
SCHEMBL19797110 0.90 FFAR4 (0.38) FFAR4TSHRCYP2C9SPHK1DGAT1
SCHEMBL19796790 0.90 TSHR (0.35) FFAR4TSHRCYP2C9SPHK1ALDH1A1
SCHEMBL19796812 0.88 RAB9A (0.39) FFAR4TSHRCYP2C9ALDH1A1LMNA
SCHEMBL19797146 0.88 FFAR4 (0.34) FFAR4TSHRCYP2C9SPHK1DGAT1
SCHEMBL19797109 0.88 RARB (0.33) FFAR4TSHRDGAT1SOAT1CA1

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 1715/4885TSHR 4195/4885CYP2C9 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.