SCHEMBL17359247

SCHEMBL17359247

Cc1ccc(-c2c(F)cc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3F)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.42
RPS6KA3 P51812 5/20 0.42
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.33
AR P10275 1/20 0.33
AKR1C3 P42330 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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 0.90 RPS6KA3 (0.46) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL17359249 0.84 PTGS2 (0.37) PTGS2PTGS1PDE3BPDE3AAKR1C3
SCHEMBL16258104 0.84 KDM4E (0.40) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL16258066 0.84 KDM4E (0.40) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL17359263 0.82 PTGS2 (0.42) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL21919585 0.82 PTGS2 (0.41) PTGS2PTGS1RPS6KA3KDM4EMEN1
SCHEMBL17359248 0.81 PDE3B (0.38) PTGS2RPS6KA3PDE3BPDE3AAKR1C3
SCHEMBL15180990 0.81 PTGS2 (0.43) PTGS2PTGS1PDE3BPDE3AAKR1C3
SCHEMBL2741547 0.81 PDE3B (0.42) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL2741562 0.81 PDE3B (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.