SCHEMBL19804115

SCHEMBL19804115

C=C(C)C(=O)OCc1cc(-c2ccc(C)cc2)ccc1CCCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
HSD17B1 P14061 1/20 0.33
FFAR1 O14842 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MCL1 Q07820 1/20 0.31
THRB P10828 1/20 0.31
ICMT O60725 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
SCHEMBL19804063 0.93 CA1 (0.36) CA1CA2MEN1KMT2ARARA
SCHEMBL19804117 0.89 CA1 (0.41) CA1CA2RARARARBRARG
SCHEMBL19624346 0.89 CA1 (0.41) CA1CA2RARARARBRARG
SCHEMBL19804062 0.87 HSD17B1 (0.35) CA1CA2MEN1KMT2AFFAR4
SCHEMBL19796227 0.87 MCL1 (0.39) RARARARBRARGHSD17B1CYP4F2
SCHEMBL19796563 0.85 THRB (0.43) MEN1KMT2ARARARARBRARG
SCHEMBL19804043 0.85 ESR2 (0.36) CA1CA2MEN1KMT2ARARA
SCHEMBL19804143 0.85 RARA (0.36) RARARARBRARGHSD17B1HTT
SCHEMBL19796463 0.85 THRA (0.37) MEN1KMT2ARARARARBRARG
SCHEMBL19804330 0.84 ALDH1A1 (0.38) CA2MEN1KMT2ARARARARB

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.