SCHEMBL19804246

SCHEMBL19804246

C=CC(=O)OCCc1cc(-c2ccc(C)cc2)ccc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
THRB P10828 3/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
MCL1 Q07820 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 3/20 0.32
ALOX5 P09917 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
ICMT O60725 1/20 0.31
TGM2 P21980 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL19803982 0.93 TSHR (0.39) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19803976 0.91 THRB (0.40) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796292 0.87 THRB (0.48) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19804527 0.83 THRB (0.41) TSHRTHRBHPGDRARARARB
SCHEMBL19804112 0.82 CA1 (0.40) TSHRTHRBMCL1FFAR4FFAR1
SCHEMBL19804594 0.82 THRB (0.46) TSHRTHRBALDH1A1HPGDFFAR4
SCHEMBL19804485 0.82 FFAR4 (0.37) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19624613 0.82 TSHR (0.38) TSHRTHRBALDH1A1FFAR4FFAR1
SCHEMBL19804244 0.81 FFAR4 (0.41) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796290 0.80 THRB (0.46) TSHRTHRBALDH1A1TP53HIF1A

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 4195/4885THRB 4323/4885ALDH1A1 2472/4885

“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.