SCHEMBL19804063

SCHEMBL19804063

C=C(C)C(=O)OCc1cc(-c2ccc(C)cc2)ccc1CCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B1 P14061 2/20 0.34
FFAR1 O14842 4/20 0.33
MCL1 Q07820 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
THRB P10828 1/20 0.32
FFAR4 Q5NUL3 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ICMT O60725 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL19804115 0.93 CA1 (0.38) CA1CA2MEN1KMT2AHSD17B1
SCHEMBL19804039 0.90 DCLRE1A (0.37) MEN1KMT2AHSD17B1RARARARB
SCHEMBL19804062 0.90 HSD17B1 (0.35) CA1CA2MEN1KMT2AHSD17B1
SCHEMBL19804112 0.89 CA1 (0.40) CA1CA2HSD17B1FFAR1MCL1
SCHEMBL19796225 0.86 MCL1 (0.40) HSD17B1MCL1RARARARBRARG
SCHEMBL19804281 0.84 ESR2 (0.37) MEN1KMT2AHSD17B1FFAR1RARA
SCHEMBL19796460 0.84 CYP4F2 (0.38) HSD17B1MCL1RARARARBRARG
SCHEMBL19796530 0.83 THRB (0.44) MEN1KMT2ARARARARBRARG
SCHEMBL19804325 0.83 ALDH1A1 (0.37) MEN1KMT2AFFAR1KDM4EALDH1A1
SCHEMBL15338832 0.83 HSD17B1 (0.39) MEN1KMT2AHSD17B1THRBALDH1A1

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 CA1 489/4885CA2 2120/4885MEN1 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.