SCHEMBL13097600

SCHEMBL13097600

Cc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
PTGS2 P35354 5/20 0.39
ANPEP P15144 2/20 0.38
PTGS1 P23219 2/20 0.38
RPS6KA3 P51812 1/20 0.37
APP P05067 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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 0.90 AKR1C3 (0.40) PDE3BPDE3APTGS2RPS6KA3AKR1C3
SCHEMBL12889472 0.90 PTGS2 (0.40) PDE3BPDE3APTGS2RPS6KA3AKR1C3
SCHEMBL10018713 0.89 PDE3B (0.41) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL4567632 0.88 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL13444659 0.88 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL10013948 0.88 PTGS2 (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL13967517 0.88 PTGS2 (0.46) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL2741547 0.86 PDE3B (0.42) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL2741562 0.86 PDE3B (0.42) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL803426 0.86 PDE3B (0.48) PDE3BPDE3APTGS2PTGS1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8333906-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-20100258763-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY SCHOTT CECILE 2010-10-14 US disclosed
US-7651742-B2 Liquid-crystalline medium and liquid-crystal display comprising 1,2-difluoroethene compounds MERCK PATENT GMBH (DE) 2010-01-26 US disclosed
US-20080260971-A1 Liquid-Crystalline Medium and Liquid-Crystal Display Comprising 1,2-Difluoroethene Compounds MERCK PATENT GMBH (DE) 2008-10-23 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 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 (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-20080260971-A1 Liquid-Crystalline Medium and Liquid-Crystal Display Comprising 1,2-Difluoroethene Compounds CFL1, NEFM, CHRM1 PDE3B 3138/4885PDE3A 2754/4885PTGS2 4513/4885

“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.