SCHEMBL17359263

SCHEMBL17359263

Cc1ccc(-c2cc(F)c(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3F)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.41
RPS6KA3 P51812 5/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
AR P10275 1/20 0.33
PIM1 P11309 1/20 0.33
SRC P12931 1/20 0.33
GSK3A P49840 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17359262 0.91 RPS6KA3 (0.46) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL172359 0.83 PDE3B (0.47) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL17359247 0.82 PTGS2 (0.43) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL17359248 0.82 PDE3B (0.38) PTGS2RPS6KA3PDE3BPDE3A
SCHEMBL2741562 0.82 PDE3B (0.42) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL2741547 0.82 PDE3B (0.42) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL18069661 0.82 PTGS2 (0.43) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL12011032 0.81 PTGS2 (0.57) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL13295485 0.80 PDE3B (0.41) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL17359277 0.80 CYP2A6 (0.42) PTGS2PTGS1RPS6KA3PDE3BPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 PTGS2 4273/4885PTGS1 3357/4885RPS6KA3 1591/4885

“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.