SCHEMBL2455045

SCHEMBL2455045

Cc1ccc(O)c(C(=O)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
CSNK2A1 P68400 1/20 0.47
AKR1C3 P42330 1/20 0.44
ESR1 P03372 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL147250 0.85 CSNK2A1 (0.63) HPGDMAPTHTTCSNK2A1AKR1C3
SCHEMBL29823118 0.85 CSNK2A1 (0.63) HPGDMAPTHTTCSNK2A1AKR1C3
SCHEMBL10621924 0.84 CSNK2A1 (0.61) HPGDMAPTHTTCSNK2A1AKR1C3
SCHEMBL2457515 0.83 LIG1 (0.59) PTGS2HPGDMAPTAKR1C3ESR1
SCHEMBL9816965 0.81 CSNK2A1 (0.64) HPGDMAPTHTTCSNK2A1AKR1C3
SCHEMBL30070764 0.79 CSNK2A1 (0.62) HPGDMAPTHTTCSNK2A1AKR1C3
SCHEMBL12333847 0.79 PTGS2 (0.51) PTGS2HTTAKR1C3ESR1
SCHEMBL2452385 0.78 ELANE (0.48) PTGS2MAPTHTT
SCHEMBL8136816 0.78 CSNK2A1 (0.67) PTGS2HPGDMAPTHTTCSNK2A1
SCHEMBL14322843 0.77 PTGS2 (0.57) PTGS2HPGDMAPTESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9176257-B2 Conjugated aromatic compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
US-9176257-B2 Conjugated aromatic compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
US-20120330052-A1 CONJUGATED AROMATIC COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2012-12-27 US disclosed
US-20120330052-A1 CONJUGATED AROMATIC COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2012-12-27 US disclosed
WO-2011118541-A1 CONJUGATED AROMATIC COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-09-29 WO 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-20120330052-A1 CONJUGATED AROMATIC COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT AHR, AXIN2, NR2E3 PTGS2 4401/4885HPGD 3957/4885MAPT 978/4885

“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.