SCHEMBL10034263

SCHEMBL10034263

CCCCC(CC)COc1ccc(C#Cc2c3ccccc3c3ccc4c(C#Cc5ccc(OCC(CC)CCCC)cc5)c5ccccc5c5ccc2c3c45)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 3/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL10034262 0.82 LTA4H (0.47) ALDH1A1L3MBTL1KDM4ECHRNB2CHRNB4
SCHEMBL10034261 0.82 LTA4H (0.47) ALDH1A1L3MBTL1KDM4ECHRNB2CHRNB4
SCHEMBL10066574 0.80 CYP3A4 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11111613 0.77 LTA4H (0.53) CYP3A4CA2L3MBTL1MAPTTDP1
SCHEMBL11027301 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL1356320 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1357035 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10022711 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL13191758 0.75 LTA4H (0.40) ALDH1A1CYP3A4L3MBTL1MAPTKDM4E
SCHEMBL4913490 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1

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 1 patent. 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

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 ALDH1A1 342/4885CYP3A4 321/4885CA2 4465/4885

“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.