SCHEMBL19796293

SCHEMBL19796293

C=CC(=O)OCCc1cc(-c2ccc(CCC)cc2CC)ccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
GABRA1 P14867 9/20 0.41
GABRB2 P47870 9/20 0.41
ALOX5 P09917 3/20 0.41
CNR1 P21554 1/20 0.41
THRB P10828 2/20 0.39
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL17070539 0.89 THRB (0.44) CNR2GABRA1GABRB2CNR1THRB
SCHEMBL19804162 0.88 L3MBTL1 (0.43) CNR2GABRA1GABRB2CNR1THRB
SCHEMBL17072446 0.87 RARB (0.42) CNR2GABRA1GABRB2CNR1THRB
SCHEMBL19558416 0.87 RARA (0.44) THRBRARARARBRARGTP53
SCHEMBL19796240 0.86 GABRA1 (0.41) CNR2GABRA1GABRB2ALOX5CNR1
SCHEMBL19796379 0.84 THRB (0.48) GABRA1GABRB2ALOX5THRBRARB
SCHEMBL19796441 0.84 THRB (0.48) GABRA1GABRB2ALOX5THRBRARB
SCHEMBL19796436 0.84 THRB (0.47) CNR2GABRA1GABRB2ALOX5CNR1
SCHEMBL20286015 0.84 THRB (0.43) CNR2GABRA1GABRB2ALOX5CNR1
SCHEMBL20286035 0.83 THRB (0.39) CNR2GABRA1GABRB2ALOX5CNR1

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 2 patents. 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
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 CNR2 1075/4885GABRA1 3384/4885GABRB2 4373/4885

“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.