SCHEMBL19796471

SCHEMBL19796471

C=C(C)C(=O)OCCc1cc(-c2ccc(CO)cc2)cc2ccc(CCCCC)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
TSHR P16473 2/20 0.39
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
RARB P10826 8/20 0.36
RARA P10276 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 1/20 0.35
RARG P13631 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
SCHEMBL19796862 0.84 THRB (0.43) TSHRTHRBTHRARARBRARA
SCHEMBL19796914 0.84 THRB (0.43) TSHRTHRBTHRARARBRARA
SCHEMBL19804283 0.83 MTNR1A (0.47) MTNR1AMTNR1BTHRBERN1
SCHEMBL19796449 0.83 THRB (0.40) MTNR1AMTNR1BTSHRTHRBTHRA
SCHEMBL19796926 0.83 MTNR1A (0.40) MTNR1AMTNR1BTSHR
SCHEMBL19796939 0.82 TSHR (0.40) TSHRTHRBTHRARARBRARA
SCHEMBL19797149 0.82 THRB (0.41) TSHRTHRBTHRARARBRARA
SCHEMBL19796496 0.81 THRB (0.44) TSHRTHRBTHRARARBRARA
SCHEMBL19624673 0.81 HTT (0.41) TSHRTHRBTHRARARBRARA
SCHEMBL19796904 0.81 THRB (0.36) MTNR1AMTNR1BTSHRTHRBTHRA

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 MTNR1A 4362/4885MTNR1B 4638/4885TSHR 4195/4885

“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.