SCHEMBL20111697

SCHEMBL20111697

Cc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
PTGS1 P23219 3/20 0.39
PON1 P27169 1/20 0.38
RPS6KA3 P51812 1/20 0.37
BACE1 P56817 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
COMT P21964 1/20 0.36
ALOX15 P16050 2/20 0.35
MCL1 Q07820 2/20 0.33
BCL2 P10415 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 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
SCHEMBL20117662 0.83 PTGS2 (0.39) PTGS2PTGS1RPS6KA3AKR1C3AKR1C2
SCHEMBL20117904 0.80 PTGS2 (0.37) PTGS2PTGS1PON1RPS6KA3NPC1
SCHEMBL9419257 0.78 COMT (0.45) PTGS2PTGS1PON1RPS6KA3BACE1
SCHEMBL13680292 0.77 COMT (0.44) PTGS2PTGS1PON1RPS6KA3BACE1
SCHEMBL20111497 0.76 ESR2 (0.45) ESR1ESR2
SCHEMBL20117730 0.75 PTGS2 (0.36) PTGS2PTGS1RPS6KA3ALOX15HSD17B10
SCHEMBL20111611 0.75 PTGS2 (0.34) PTGS2PTGS1BACE1NPC1RAB9A
SCHEMBL20111310 0.74 FFAR4 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20111644 0.74 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL20012962 0.73 RPS6KA3 (0.43) PTGS2PTGS1RPS6KA3BACE1MEN1

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S PTGS2 4062/4885PTGS1 3924/4885PON1 810/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S PTGS2 4062/4885PTGS1 3924/4885PON1 810/4885

“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.