SCHEMBL19796502

SCHEMBL19796502

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)c(C)c2)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.49
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
TSHR P16473 2/20 0.39
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.35
S1PR1 P21453 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
SCHEMBL19796513 0.93 RARB (0.47) RARBTHRBTHRATSHRRARA
SCHEMBL19796554 0.93 RARB (0.48) RARBTHRBTHRATSHRRARA
SCHEMBL19796579 0.92 RARB (0.47) RARBTHRBTHRATSHRRARA
SCHEMBL19796496 0.92 THRB (0.44) RARBTHRBTHRATSHRRARA
SCHEMBL19796501 0.90 RARB (0.40) RARBTHRBTHRATSHRRARA
SCHEMBL19796665 0.90 RARB (0.48) RARBTHRBTHRATSHRRARA
SCHEMBL19796498 0.89 RARB (0.50) RARBTHRBTHRATSHRRARA
SCHEMBL19796488 0.89 RARB (0.48) RARBTHRBTHRARARARARG
SCHEMBL19796557 0.89 RARB (0.47) RARBTHRBTHRATSHRRARA
SCHEMBL19796505 0.88 TSHR (0.39) RARBTHRBTHRATSHRRARA

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 3517/4885THRB 4323/4885THRA 4376/4885

“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.