SCHEMBL10034262

SCHEMBL10034262

CCCCCCOc1ccc(C#Cc2c3ccccc3c3ccc4c(C#Cc5ccc(OCCCCCC)cc5)c5ccccc5c5ccc2c3c45)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
NR5A1 Q13285 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G4B P0C869 1/20 0.40
FAAH O00519 6/20 0.39

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
SCHEMBL10034261 1.00 LTA4H (0.47) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL13191758 0.92 LTA4H (0.40) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL11111613 0.87 LTA4H (0.53) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL10034263 0.82 ALDH1A1 (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29390021 0.81 NR5A1 (0.59) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL716818 0.81 HSD17B10 (0.42) TP53TSHRKDM4EALDH1A1
SCHEMBL28942158 0.80 LTA4H (0.66) LTA4HNR5A1CHRNB2CHRNB4CHRNA3
SCHEMBL15559300 0.80 NR5A1 (0.66) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL10300046 0.80 NR5A1 (0.66) LTA4HNR5A1TP53TSHRKDM4E
SCHEMBL28328005 0.78 LTA4H (0.68) LTA4HNR5A1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-03-01 US disclosed
US-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-03-01 US disclosed
WO-2010099583-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-09-10 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-20120048377-A1 PHOTOSENSITIVE OPTOELECTRONIC DEVICES COMPRISING POLYCYCLIC AROMATIC COMPOUNDS TYR, PAH, DDT LTA4H 3013/4885NR5A1 4774/4885CHRNB2 3056/4885

“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.