SCHEMBL19796909

SCHEMBL19796909

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
RAB9A P51151 1/20 0.37
PPARG P37231 3/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
PPARA Q07869 2/20 0.34
PTPN11 Q06124 2/20 0.34
ALDH2 P05091 1/20 0.33
CNR2 P34972 1/20 0.33
P2RY14 Q15391 1/20 0.33
RARB P10826 2/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL19624418 0.87 FFAR4 (0.41) FFAR4RAB9AALDH2
SCHEMBL19797103 0.86 FFAR4 (0.41) FFAR4RAB9AITGB3ITGA2BPTPN11
SCHEMBL19804599 0.86 FFAR4 (0.46) FFAR4RAB9APPARGPPARA
SCHEMBL19796847 0.83 FFAR4 (0.41) FFAR4RAB9AITGB3ITGA2BPTPN11
SCHEMBL19797097 0.83 FFAR4 (0.39) FFAR4RAB9APPARGITGB3ITGA2B
SCHEMBL19797122 0.83 FFAR4 (0.40) FFAR4RAB9APPARGITGB3ITGA2B
SCHEMBL19797104 0.81 FFAR4 (0.36) FFAR4RAB9APPARGITGB3ITGA2B
SCHEMBL19796905 0.81 FFAR4 (0.38) FFAR4RAB9APPARGITGB3ITGA2B
SCHEMBL19797083 0.81 FFAR4 (0.42) FFAR4RAB9APPARGITGB3ITGA2B
SCHEMBL19796850 0.80 FFAR4 (0.42) 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 4200/4885PPARG 3314/4885

“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.