SCHEMBL19796565

SCHEMBL19796565

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(CCCCC)cc3C)cc2)ccc1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.44
LTB4R Q15722 1/20 0.37
CNR2 P34972 5/20 0.36
CNR1 P21554 3/20 0.36
TSHR P16473 3/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL19796607 0.95 RARB (0.43) RARBLTB4RCNR2CNR1TSHR
SCHEMBL19796560 0.95 RARB (0.45) RARBCNR2CNR1TSHRPTPN1
SCHEMBL19796522 0.94 RARB (0.44) RARBTSHRPTPN1PTPN6PTPN11
SCHEMBL19796551 0.92 THRA (0.42) RARBCNR2CNR1TSHRPTPN1
SCHEMBL19796606 0.91 RARB (0.45) RARBCNR2CNR1TSHRTHRA
SCHEMBL19796646 0.91 RARB (0.45) RARBTSHRPTPN1PTPN6PTPN11
SCHEMBL19796226 0.91 LTB4R (0.39) RARBLTB4RCNR2CNR1TSHR
SCHEMBL19796523 0.89 RARB (0.46) RARBTSHRPTPN1PTPN6PTPN11
SCHEMBL19796561 0.89 RARB (0.37) RARBLTB4RCNR2CNR1TSHR
SCHEMBL19796797 0.89 RARB (0.47) RARBTSHRPTPN11MEN1MAPT

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 RARB 3517/4885LTB4R 2415/4885CNR2 1075/4885

“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.