SCHEMBL10066574

SCHEMBL10066574

CCCCC(CC)COc1ccc(-c2c3ccccc3c3ccc4c(-c5ccc(OCC(CC)CCCC)cc5)c5ccccc5c5ccc2c3c45)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL26510417 0.92 CYP3A4 (0.47) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL22375400 0.90 ALDH1A1 (0.45) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL12581168 0.82 PTGES (0.39) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL4935575 0.81 LTA4H (0.38) CYP3A4ALDH1A1CA2LMNAMAPT
SCHEMBL20357876 0.81 CYP3A4 (0.47) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL12581164 0.80 PPARG (0.37) CYP3A4ALDH1A1CA2LMNAMAPT
SCHEMBL10034263 0.80 ALDH1A1 (0.39) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL1356320 0.79 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL1357035 0.79 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL10022711 0.79 ALDH1A1 (0.47) CYP3A4ALDH1A1CA2LMNAPRSS1

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 2 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
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 CYP3A4 321/4885ALDH1A1 342/4885CA2 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.