SCHEMBL19796677

SCHEMBL19796677

C=C(C)C(=O)OCCc1cc(C2CCC3CC(C4CCC(CCCCC)CC4)CCC3C2)ccc1CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CNR2 P34972 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL19796508 0.95 TSHR (0.37) TSHRRAB9ACA1CA2CNR2
SCHEMBL19796518 0.90 TSHR (0.39) TSHRRAB9ACA1CA2CNR2
SCHEMBL19796555 0.89 TSHR (0.36) TSHRRAB9ACA1CA2CNR2
SCHEMBL19796591 0.88 TSHR (0.36) TSHRRAB9ACA1CA2CNR2
SCHEMBL19804388 0.86 CA1 (0.34) CA1CA2
SCHEMBL19796504 0.86 CYP2C9 (0.35) TSHRRAB9ACNR2CYP2C9
SCHEMBL19796254 0.85 CYP2C9 (0.43) TSHRRAB9ACA1CA2CYP2C9
SCHEMBL19796506 0.85 TSHR (0.36) TSHRRAB9ACA1CA2CNR2
SCHEMBL19796509 0.85 TSHR (0.33) TSHRCA1CA2CNR2CYP2C9
SCHEMBL19796550 0.84 TSHR (0.38) TSHRRAB9ACA1CA2CNR2

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 TSHR 4195/4885RAB9A 4200/4885CA1 489/4885

“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.