SCHEMBL19796904

SCHEMBL19796904

C=C(C)C(=O)OCCc1cc2cc(-c3ccc(CCCCC)cc3CC)ccc2cc1-c1ccc(CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
TSHR P16473 2/20 0.36
RARB P10826 7/20 0.35
THRA P10827 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PTPN11 Q06124 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
AGTR2 P50052 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
PTAFR P25105 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
SCHEMBL19796449 0.93 THRB (0.40) THRBTSHRRARBTHRAMTNR1A
SCHEMBL19796939 0.92 TSHR (0.40) THRBTSHRRARBTHRAPTPN11
SCHEMBL19804706 0.86 TRPA1 (0.37) THRBMTNR1AMTNR1BPPARA
SCHEMBL19796942 0.86 TSHR (0.42) THRBTSHRRARBTHRAPTPN11
SCHEMBL19797148 0.85 THRB (0.39) THRBTSHRRARBTHRAS1PR1
SCHEMBL19796947 0.84 MEN1 (0.43) THRBTSHRRARBTHRAPTPN11
SCHEMBL19797151 0.84 TSHR (0.36) THRBTSHRRARBTHRAPTPN11
SCHEMBL19796914 0.84 THRB (0.43) THRBTSHRRARBTHRAS1PR1
SCHEMBL19796862 0.84 THRB (0.43) THRBTSHRRARBTHRAS1PR1
SCHEMBL19796419 0.82 THRB (0.38) THRBTSHRRARBPPARAAGTR2

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 4323/4885TSHR 4195/4885RARB 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.