SCHEMBL19796548

SCHEMBL19796548

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3CC)cc2)ccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
RARB P10826 10/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.34
AGTR2 P50052 1/20 0.33
PTPN11 Q06124 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL19796541 0.96 RARB (0.39) TSHRRARBTHRATHRBRARA
SCHEMBL19796581 0.95 TSHR (0.38) TSHRRARBTHRATHRBRARA
SCHEMBL19624654 0.93 RARB (0.40) TSHRRARBTHRATHRBRARA
SCHEMBL19796505 0.93 TSHR (0.39) TSHRRARBTHRATHRBRARA
SCHEMBL19796540 0.92 THRB (0.43) TSHRRARBTHRATHRBRARA
SCHEMBL19796582 0.91 RARB (0.39) TSHRRARBTHRATHRBRARA
SCHEMBL19796558 0.91 TSHR (0.40) TSHRRARBTHRATHRBRARA
SCHEMBL19796942 0.91 TSHR (0.42) TSHRRARBTHRATHRBRARA
SCHEMBL19796956 0.90 RARB (0.39) TSHRRARBTHRATHRBRARA
SCHEMBL19796501 0.89 RARB (0.40) TSHRRARBTHRATHRBRARA

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 4195/4885RARB 3517/4885THRA 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.