SCHEMBL19804348

SCHEMBL19804348

C=C(C)C(=O)OCCc1ccccc1-c1ccc(-c2ccc(CCO)cc2CC)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 6/20 0.36
PPARA Q07869 4/20 0.36
PPARG P37231 1/20 0.36
THRB P10828 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PDK2 Q15119 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 2/20 0.33
REN P00797 1/20 0.33
LPAR1 Q92633 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
SCHEMBL19804700 0.94 FFAR1 (0.38) FFAR1FFAR4PPARAPPARGTHRB
SCHEMBL19804311 0.89 FFAR1 (0.36) FFAR1FFAR4PPARAPPARGTHRB
SCHEMBL19804631 0.88 APP (0.37) FFAR1FFAR4PPARATHRBPTGER1
SCHEMBL19804701 0.87 CYP4A11 (0.37) FFAR1FFAR4PPARATHRBCYP4F2
SCHEMBL19796942 0.87 TSHR (0.42) PPARAPPARGTHRBTSHR
SCHEMBL19796332 0.86 THRB (0.38) THRBCYP4F2CYP4A11TSHR
SCHEMBL19796411 0.86 THRB (0.38) THRBCYP4F2CYP4A11TSHR
SCHEMBL19804182 0.85 CA1 (0.39) FFAR1FFAR4THRBCYP4F2CYP4A11
SCHEMBL19801710 0.85 POLB (0.42) FFAR1FFAR4PPARAPPARGPTGER1
SCHEMBL19804345 0.84 FFAR4 (0.43) FFAR1FFAR4PPARAPPARGCYP4F2

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 FFAR1 1057/4885FFAR4 1715/4885PPARA 3672/4885

“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.