SCHEMBL19796847

SCHEMBL19796847

C/C=C(\C)C(=O)OCc1cc(OCCO)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
RAB9A P51151 1/20 0.39
PTPN11 Q06124 2/20 0.36
ALDH2 P05091 1/20 0.35
CNR2 P34972 6/20 0.35
CNR1 P21554 3/20 0.34
CYP2C9 P11712 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL19796850 0.91 FFAR4 (0.42) FFAR4RAB9APTPN11ALDH2CNR2
SCHEMBL19797072 0.88 FFAR4 (0.37) FFAR4RAB9APTPN11CNR2CNR1
SCHEMBL19797083 0.86 FFAR4 (0.42) FFAR4RAB9APTPN11CYP2C9ITGB3
SCHEMBL19804576 0.86 FFAR4 (0.48) FFAR4RAB9AALDH2CYP2C9
SCHEMBL19797059 0.86 FFAR4 (0.41) FFAR4RAB9APTPN11CNR2CNR1
SCHEMBL19796812 0.83 RAB9A (0.39) FFAR4RAB9APTPN11CNR2CNR1
SCHEMBL19796909 0.83 FFAR4 (0.39) FFAR4RAB9APTPN11ALDH2CNR2
SCHEMBL19797097 0.83 FFAR4 (0.39) FFAR4RAB9APTPN11ALDH2CNR2
SCHEMBL19797053 0.83 PPARD (0.37) FFAR4PTPN11CYP2C9
SCHEMBL19797122 0.83 FFAR4 (0.40) FFAR4RAB9APTPN11ALDH2CNR2

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 1715/4885RAB9A 4200/4885PTPN11 2304/4885

“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.