SCHEMBL19804454

SCHEMBL19804454

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1CCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
LTB4R Q15722 7/20 0.39
LTB4R2 Q9NPC1 5/20 0.39
EGFR P00533 2/20 0.38
SLC6A9 P48067 4/20 0.38
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL19804494 0.94 RARB (0.41) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804377 0.93 EGFR (0.39) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804285 0.92 SLC6A9 (0.40) LTB4RLTB4R2EGFRSLC6A9PDE4A
SCHEMBL19804533 0.91 RARB (0.44) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804467 0.91 RARA (0.36) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804288 0.90 EGFR (0.38) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804415 0.90 LTB4R (0.36) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804114 0.89 LTB4R (0.37) RARARARBRARGLTB4RLTB4R2
SCHEMBL19804308 0.89 ALOX5AP (0.40) LTB4RLTB4R2EGFRSLC6A9PDE4A
SCHEMBL19804042 0.89 RARA (0.36) RARARARBRARGEGFRSLC6A9

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 RARA 3585/4885RARB 3517/4885RARG 3736/4885

“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.