SCHEMBL19796492

SCHEMBL19796492

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 3/20 0.35
APP P05067 2/20 0.33
RARB P10826 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORC P51449 3/20 0.31
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
PPARD Q03181 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RORA P35398 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL19796979 0.95 FFAR4 (0.36) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796537 0.94 FFAR4 (0.36) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796576 0.93 FFAR4 (0.36) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796515 0.91 TSHR (0.34) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796491 0.91 MMP2 (0.33) FFAR4CYP2C9RARBPPARDALDH1A1
SCHEMBL19796628 0.89 PPARD (0.38) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL22926389 0.89 TSHR (0.33) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796490 0.89 CYP2C9 (0.37) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19797006 0.88 FFAR4 (0.36) FASNFFAR4CYP2C9CYP3A4APP
SCHEMBL19796975 0.87 CYP2C9 (0.35) FFAR4CYP2C9CYP3A4APPRARB

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 FASN 4204/4885FFAR4 1715/4885CYP2C9 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.