SCHEMBL19796929

SCHEMBL19796929

C=CC(=O)OCc1cc(C(=O)Oc2ccc(CCCO)cc2)ccc1C1CCC(CCCCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.45
THRA P10827 6/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4A11 Q02928 2/20 0.34
MAPT P10636 2/20 0.34
CYP4F2 P78329 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 1/20 0.33
MDH1 P40925 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL19804655 0.87 THRB (0.41) THRBTHRAMEN1KMT2ACYP4A11
SCHEMBL19796928 0.84 THRB (0.41) THRBTHRAMEN1KMT2ACYP4A11
SCHEMBL19796925 0.82 THRB (0.39) THRBTHRAMEN1KMT2AITGB3
SCHEMBL19796476 0.81 THRB (0.50) THRBTHRAMEN1KMT2ACYP4A11
SCHEMBL16657532 0.80 THRB (0.45) THRBTHRAMEN1KMT2AMAPT
SCHEMBL12154171 0.80 THRB (0.45) THRBTHRAMEN1KMT2AMAPT
SCHEMBL19804027 0.79 THRB (0.46) THRBTHRAMEN1KMT2ACYP4A11
SCHEMBL16996735 0.77 THRB (0.51) THRBTHRAMEN1KMT2AMAPT
SCHEMBL19797068 0.76 SPHK1 (0.38) THRBTHRA
SCHEMBL10524746 0.76 RARB (0.44) THRBTHRAMEN1KMT2AMAPT

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 4323/4885THRA 4376/4885MEN1 1151/4885

“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.