SCHEMBL19804121

SCHEMBL19804121

C=C(C)C(=O)Oc1cc(CCCO)ccc1-c1ccc(C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.38
CYP4F2 P78329 2/20 0.38
GRM2 Q14416 1/20 0.36
RARB P10826 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HDAC1 Q13547 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
KDM1A O60341 2/20 0.32
ALOX5 P09917 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
SCHEMBL19796350 0.89 RARB (0.39) CYP4A11CYP4F2RARBTNKS2
SCHEMBL19804289 0.88 GRM2 (0.36) CYP4A11CYP4F2GRM2RARBTNKS2
SCHEMBL19804216 0.83 CA1 (0.36) CYP4A11CYP4F2GRM2RARBFFAR4
SCHEMBL19804082 0.80 CTSA (0.36) RARBFFAR4HDAC1KDM1A
SCHEMBL19804232 0.80 PRKAB2 (0.40) FFAR4
SCHEMBL17484412 0.78 RARB (0.35) CYP4A11CYP4F2GRM2RARBFFAR4
SCHEMBL19804102 0.78 CYP4F2 (0.41) CYP4A11CYP4F2GRM2FFAR4HDAC1
SCHEMBL19796352 0.78 RARB (0.36) CYP4A11CYP4F2RARB
SCHEMBL19804118 0.77 CA1 (0.36) CYP4A11CYP4F2TNKS2FFAR4
SCHEMBL17484398 0.77 RARB (0.46) CYP4A11RARBFFAR4

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 CYP4A11 1991/4885CYP4F2 2577/4885GRM2 1347/4885

“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.