SCHEMBL19804474

SCHEMBL19804474

C=CC(=O)OCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2F)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
APP P05067 3/20 0.37
CYP2C9 P11712 2/20 0.37
FFAR4 Q5NUL3 3/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
FASN P49327 1/20 0.32
BTK Q06187 3/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CSF1R P07333 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARD Q03181 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 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
SCHEMBL19797043 0.88 PPARD (0.37) CYP3A4APPCYP2C9FFAR4ALOX5AP
SCHEMBL19804503 0.83 SLC6A9 (0.39) CYP3A4CYP2C9FFAR4CSF1RPRKAB2
SCHEMBL19804765 0.82 FFAR4 (0.36) FFAR4CSF1RPPARD
SCHEMBL19804524 0.82 CYP3A4 (0.42) CYP3A4APPCYP2C9FFAR4FASN
SCHEMBL19804506 0.82 TSHR (0.36) CYP3A4CYP2C9CSF1RCYP2D6ITK
SCHEMBL19804064 0.82 CYP3A4 (0.43) CYP3A4APPCYP2C9FFAR4ALOX5AP
SCHEMBL19804682 0.82 RARA (0.38) CYP3A4APPCYP2C9FFAR4GABRA1
SCHEMBL19804740 0.81 CYP3A4 (0.41) CYP3A4APPCYP2C9FFAR4ALOX5AP
SCHEMBL19796758 0.81 TSHR (0.35) CSF1RITK
SCHEMBL19803222 0.81 FFAR4 (0.42) CYP3A4APPCYP2C9FFAR4FASN

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 CYP3A4 2192/4885APP 325/4885CYP2C9 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.