SCHEMBL17359248

SCHEMBL17359248

Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3F)cc2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
RPS6KA3 P51812 2/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
GRM2 Q14416 1/20 0.35
KDM1A O60341 4/20 0.34
PTGS2 P35354 3/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL10005514 0.92 AKR1C3 (0.40) PDE3BPDE3ARPS6KA3AKR1C3AKR1C2
SCHEMBL12889472 0.88 PTGS2 (0.40) PDE3BPDE3ARPS6KA3AKR1C3AKR1C2
SCHEMBL18069657 0.87 PDE3B (0.40) PDE3BPDE3AAKR1C3AKR1C2GRM2
SCHEMBL17359262 0.86 RPS6KA3 (0.46) PDE3BPDE3ARPS6KA3PTGS2
SCHEMBL18069655 0.86 AKR1C3 (0.46) PDE3BPDE3AAKR1C3AKR1C2GRM2
SCHEMBL17359299 0.86 CYP2A6 (0.45) PDE3BPDE3ARPS6KA3AKR1C3AKR1C2
SCHEMBL18069661 0.85 PTGS2 (0.43) PDE3BPDE3ARPS6KA3GRM2PTGS2
SCHEMBL17359249 0.84 PTGS2 (0.37) PDE3BPDE3AAKR1C3AKR1C2PTGS2
SCHEMBL13295485 0.83 PDE3B (0.41) PDE3BPDE3ARPS6KA3AKR1C3AKR1C2
SCHEMBL13097600 0.83 PDE3B (0.41) PDE3BPDE3ARPS6KA3AKR1C3AKR1C2

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 PDE3B 644/4885PDE3A 463/4885RPS6KA3 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.