SCHEMBL19796449

SCHEMBL19796449

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
TSHR P16473 2/20 0.40
THRA P10827 1/20 0.38
RARB P10826 7/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RARA P10276 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19796904 0.93 THRB (0.36) THRBTSHRTHRARARBS1PR1
SCHEMBL19797148 0.88 THRB (0.39) THRBTSHRTHRARARBS1PR1
SCHEMBL19804198 0.85 MTNR1A (0.39) THRBTSHRMTNR1AMTNR1BPOLB
SCHEMBL19796939 0.85 TSHR (0.40) THRBTSHRTHRARARBMEN1
SCHEMBL19796862 0.85 THRB (0.43) THRBTSHRTHRARARBS1PR1
SCHEMBL19796914 0.85 THRB (0.43) THRBTSHRTHRARARBS1PR1
SCHEMBL19804706 0.83 TRPA1 (0.37) THRBMTNR1AMTNR1BPPARGPPARA
SCHEMBL19796471 0.83 MTNR1A (0.47) THRBTSHRTHRARARBMTNR1A
SCHEMBL19624664 0.82 PTPN11 (0.41) THRBTSHRTHRARARBMTNR1A
SCHEMBL19796419 0.81 THRB (0.38) THRBTSHRRARBALDH1A1PPARA

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 4195/4885THRA 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.