SCHEMBL19796487

SCHEMBL19796487

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)ccc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
THRA P10827 2/20 0.45
RARB P10826 11/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.40
TSHR P16473 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL19796489 0.94 THRB (0.40) THRBTHRARARBRARARARG
SCHEMBL19796485 0.94 THRB (0.42) THRBTHRARARBRARARARG
SCHEMBL19796530 0.92 THRB (0.44) THRBTHRARARBRARARARG
SCHEMBL19796488 0.92 RARB (0.48) THRBTHRARARBRARARARG
SCHEMBL19796235 0.92 MCL1 (0.41) THRBTHRARARBRARARARG
SCHEMBL19796563 0.91 THRB (0.43) THRBTHRARARBRARARARG
SCHEMBL19796483 0.91 RARB (0.49) THRBTHRARARBRARARARG
SCHEMBL19796978 0.91 RARB (0.49) THRBTHRARARBRARARARG
SCHEMBL19796467 0.91 THRB (0.40) THRBTHRARARBRARARARG
SCHEMBL19796486 0.90 RARB (0.47) THRBTHRARARBRARARARG

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 THRB 4323/4885THRA 4376/4885RARB 3517/4885

“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.