SCHEMBL19804465

SCHEMBL19804465

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccccc3)cc2C)ccc1CCCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC2A1 P11166 1/20 0.35
RARA P10276 5/20 0.34
RARB P10826 5/20 0.34
RARG P13631 5/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGS1 P23219 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX1 P07099 1/20 0.32
EGFR P00533 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL19804300 0.96 POLB (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19804411 0.94 POLB (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19804316 0.94 CA1 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19804408 0.93 POLB (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL19804054 0.92 TDP1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL19804043 0.91 ESR2 (0.36) CA1CA2SLC2A1RARARARB
SCHEMBL19804323 0.91 RARA (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19804449 0.89 PTGS1 (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL19804337 0.88 RARB (0.39) CA1CA2POLBAPEX1HTT
SCHEMBL19796597 0.88 RARB (0.46) RARARARBRARGTSHR

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 CA1 489/4885CA2 2120/4885POLB 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.