SCHEMBL19804397

SCHEMBL19804397

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(OCCCC)cc3)cc2F)ccc1CCO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.45
RARA P10276 1/20 0.45
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 2/20 0.38
MCL1 Q07820 1/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LTB4R Q15722 2/20 0.35
PTPN11 Q06124 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL19796564 0.91 RARB (0.46) RARBRARAPPARDS1PR1S1PR3
SCHEMBL19804308 0.89 ALOX5AP (0.40) LTB4RLTB4R2
SCHEMBL19796669 0.89 ALOX5AP (0.36) RARBRARAPOLBAPEX1HTT
SCHEMBL19796559 0.88 RARB (0.45) RARBRARAPPARDS1PR1S1PR3
SCHEMBL19007878 0.87 RARB (0.46) RARBRARAPPARDS1PR1S1PR3
SCHEMBL19796656 0.86 RARB (0.47) RARBRARAS1PR1PTPN11
SCHEMBL19804421 0.86 FEN1 (0.43) LTB4RLTB4R2
SCHEMBL19624436 0.86 RARB (0.46) RARBRARAS1PR1S1PR3
SCHEMBL16982149 0.85 POLB (0.48) RARBRARAPOLBAPEX1HTT
SCHEMBL19804347 0.85 LTB4R (0.39) RARBRARAPOLBAPEX1HTT

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 RARB 3517/4885RARA 3585/4885POLB 3105/4885

“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.