SCHEMBL2452385

SCHEMBL2452385

C=C(C)C(=O)Oc1ccc(C)cc1C(=O)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
PTGS2 P35354 1/20 0.44
SRC P12931 2/20 0.40
TGFBR1 P36897 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ABCB1 P08183 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL16046408 0.88 ELANE (0.56) ELANESRCTGFBR1TP53GAA
SCHEMBL30677933 0.88 ELANE (0.56) ELANESRCTGFBR1TP53GAA
SCHEMBL14322808 0.87 ELANE (0.53) ELANEPTGS2MAPTMAPK1KMT2A
SCHEMBL2456259 0.80 ELANE (0.56) ELANEPTGS2MAPTKMT2A
SCHEMBL2455045 0.78 PTGS2 (0.52) PTGS2MAPTHTT
SCHEMBL18928202 0.78 MAPT (0.59) ELANEPTGS2SRCTGFBR1TP53
SCHEMBL9915764 0.76 ELANE (0.54) ELANEPTGS2GAAMAPTNPC1
SCHEMBL2609807 0.76 ELANE (0.54) ELANEPTGS2GAAMAPTNPC1
SCHEMBL10085730 0.76 ELANE (0.54) ELANEPTGS2MAPTNPC1KMT2A
SCHEMBL17427341 0.76 ELANE (0.54) ELANEPTGS2GAAMAPTNPC1

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-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-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
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 ELANE 4469/4885PTGS2 4401/4885SRC 3042/4885

“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.