SCHEMBL19796243

SCHEMBL19796243

CCCCCc1ccc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
FUT7 Q11130 1/20 0.42
THRB P10828 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL9698561 0.88 FUT7 (0.45) CA2CA1CA9FUT7THRB
SCHEMBL31195751 0.88 FUT7 (0.45) CA2CA1CA9FUT7THRB
SCHEMBL9698633 0.88 FUT7 (0.45) CA2CA1CA9FUT7THRB
SCHEMBL8552231 0.88 RARB (0.52) RARBRARARARGCA2MEN1
SCHEMBL31195767 0.86 FUT7 (0.43) CA2CA1CA9FUT7THRB
SCHEMBL11409736 0.85 PTGS2 (0.44) CA2CA1CA9MAPT
SCHEMBL7930478 0.85 CA2 (0.50) RARBCA2CA1CA9ALDH1A1
SCHEMBL9698420 0.84 RAB9A (0.55) RARBALDH1A1MAPTFUT7THRB
SCHEMBL22666338 0.84 CA2 (0.49) RARBCA2CA1CA9ALDH1A1
SCHEMBL18541205 0.83 RARB (0.53) RARBRARARARGCA2CA1

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 3585/4885RARG 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.