SCHEMBL19804354

SCHEMBL19804354

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
SLC6A9 P48067 4/20 0.39
PPARD Q03181 2/20 0.39
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35

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
SCHEMBL19804398 0.94 ALOX5AP (0.42) ALOX5APFEN1SLC6A9PPARDRARA
SCHEMBL19804068 0.92 ALOX5AP (0.41) ALOX5APFEN1SLC6A9PPARDRARA
SCHEMBL19804373 0.91 SLC6A9 (0.42) ALOX5APFEN1SLC6A9RARARARB
SCHEMBL19804515 0.91 SLC6A9 (0.43) SLC6A9PPARDRARARARBRARG
SCHEMBL19804516 0.90 RARB (0.43) SLC6A9PPARDRARARARBRARG
SCHEMBL19804471 0.89 FEN1 (0.43) ALOX5APFEN1SLC6A9PPARDRARA
SCHEMBL19804738 0.89 FEN1 (0.43) ALOX5APFEN1SLC6A9PPARDRARA
SCHEMBL19804449 0.89 PTGS1 (0.36) ALOX5APFEN1SLC6A9RARARARB
SCHEMBL19804378 0.89 PTGS1 (0.36) ALOX5APFEN1SLC6A9RARBPOLB
SCHEMBL19804132 0.89 PPARD (0.38) ALOX5APFEN1PPARDRARARARB

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 ALOX5AP 2507/4885FEN1 2669/4885SLC6A9 2938/4885

“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.