SCHEMBL19796986

SCHEMBL19796986

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2F)ccc1CCO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 3/20 0.34
FFAR4 Q5NUL3 2/20 0.33
APP P05067 2/20 0.33
RARB P10826 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RY14 Q15391 1/20 0.32
TSHR P16473 2/20 0.31
PPARD Q03181 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
DGAT1 O75907 1/20 0.30
RARA P10276 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
SCHEMBL19797008 0.96 CYP2C9 (0.34) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796975 0.95 CYP2C9 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796542 0.93 TSHR (0.36) CYP2C9FFAR4P2RY14TSHRALDH1A1
SCHEMBL19796552 0.92 TSHR (0.33) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796996 0.91 CYP2C9 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19797011 0.91 PPARD (0.37) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796989 0.90 DGAT1 (0.33) CYP2C9FFAR4RARBTSHRPPARD
SCHEMBL19796994 0.89 TSHR (0.32) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19797006 0.89 FFAR4 (0.36) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL21565418 0.89 TSHR (0.34) CYP2C9CYP3A4FFAR4APPRARB

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 CYP2C9 4202/4885CYP3A4 2192/4885FFAR4 1715/4885

“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.