SCHEMBL19796264

SCHEMBL19796264

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCC)cc2CC)ccc1CCCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.40
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
LTB4R2 Q9NPC1 7/20 0.34
TSHR P16473 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALOX5 P09917 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL19796230 0.91 LTB4R (0.38) LTB4RCNR2CNR1TSHRGABRA1
SCHEMBL19796239 0.91 RARB (0.37) LTB4RCNR2CNR1LTB4R2RARB
SCHEMBL19796402 0.90 CNR2 (0.38) LTB4RCNR2CNR1TSHRRARB
SCHEMBL19796608 0.89 CNR2 (0.38) CNR2CNR1TSHRRARARARB
SCHEMBL19804228 0.88 L3MBTL1 (0.35) LTB4RCNR2CNR1LTB4R2TSHR
SCHEMBL19796238 0.88 ALOX5 (0.36) LTB4RTSHRGABRA1GABRB2ALOX5
SCHEMBL19796279 0.87 LTB4R (0.40) LTB4RCNR2CNR1TSHRPOLB
SCHEMBL19804494 0.86 RARB (0.41) LTB4RLTB4R2RARARARBRARG
SCHEMBL19796345 0.86 LTB4R (0.36) LTB4RTSHRPOLBAPEX1HTT
SCHEMBL19796226 0.85 LTB4R (0.39) LTB4RCNR2CNR1TSHRGABRA1

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 LTB4R 2415/4885CNR2 1075/4885CNR1 320/4885

“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.