SCHEMBL19797018

SCHEMBL19797018

C=C(C)C(=O)OCCCCOc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2C)ccc1CCCO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.35
CNR1 P21554 8/20 0.35
PPARD Q03181 2/20 0.34
TSHR P16473 2/20 0.33
RARB P10826 3/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL19796609 0.92 CNR2 (0.38) CNR2CNR1TSHRCA1CA2
SCHEMBL19797003 0.91 CNR2 (0.34) CNR2CNR1TSHRRARBRARA
SCHEMBL19797012 0.90 PPARD (0.37) CNR2CNR1PPARDTSHRRARB
SCHEMBL19797007 0.90 CA1 (0.32) PPARDTSHRRARBRARARARG
SCHEMBL19797002 0.90 CYP3A4 (0.35) CNR2CNR1PPARDRARBRARA
SCHEMBL19797020 0.89 CNR2 (0.35) CNR2CNR1PPARDTSHRRARB
SCHEMBL19801966 0.89 S1PR1 (0.37) RARBRARARARGCA1CA2
SCHEMBL19796980 0.88 TSHR (0.33) PPARDTSHRRARBCA1CA2
SCHEMBL19796611 0.88 CNR2 (0.35) CNR2CNR1TSHRCA1CA2
SCHEMBL19797087 0.88 SPHK1 (0.37) TSHRRARBFFAR4

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 CNR2 1075/4885CNR1 320/4885PPARD 3071/4885

“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.