SCHEMBL19804306

SCHEMBL19804306

C=C(C)C(=O)OCc1cc(-c2ccc(CO)cc2C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RARB P10826 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
RORC P51449 1/20 0.33
ALOX5 P09917 2/20 0.33
PTGER4 P35408 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
ABL1 P00519 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL19804226 0.90 CYP4F2 (0.37) MEN1KMT2ARARBS1PR1DGAT1
SCHEMBL19796462 0.88 RARB (0.38) HSD17B1RARBS1PR1S1PR3RORC
SCHEMBL19804224 0.88 PTGER4 (0.40) HSD17B1MEN1KMT2APTGER4CYP4F2
SCHEMBL19804000 0.81 FFAR4 (0.42) HSD17B1PTGER4FFAR1CYP4F2CYP4A11
SCHEMBL19804307 0.81 CYP4F2 (0.40) HSD17B1MEN1KMT2ARARBPTGER4
SCHEMBL19624572 0.80 MEN1 (0.37) MEN1KMT2APTGER4FFAR1CYP4F2
SCHEMBL19804577 0.80 MRGPRX4 (0.37) HSD17B1S1PR1S1PR3PTGER4HCAR2
SCHEMBL19801627 0.80 FFAR4 (0.41) HSD17B1S1PR1PTGER4FFAR1BAZ2B
SCHEMBL19804346 0.79 FFAR4 (0.40) MEN1KMT2APTGER4FFAR1BAZ2B
SCHEMBL19804204 0.79 CYP4A11 (0.38) HSD17B1MEN1KMT2ARARBPPARA

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 HSD17B1 1285/4885MEN1 1151/4885KMT2A 3392/4885

“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.