SCHEMBL250347

SCHEMBL250347

CCCCCCc1cc(CCCCCC)c(CCCCCC)c(CCCCCC)c1CCCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.47
TYR P14679 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
PTGS2 P35354 6/20 0.43
CYP19A1 P11511 1/20 0.43
TYMP P19971 2/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL29037315 1.00 ALOX5 (0.47) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL29659437 0.98 ALOX5 (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL29414438 0.98 ALOX5 (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL15324096 0.98 CYP19A1 (0.44) ALOX5TYRCYP3A4MEN1TP53
Benzene SCHEMBL9352221 0.96 LIPG (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL4632556 0.90 HTT (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL8517513 0.89 TYR (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL1413335 0.89 TYR (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL10511817 0.86 ALOX5 (0.53) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL817244 0.86 ALOX5 (0.41) ALOX5TYRCYP3A4MEN1TP53

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-10256421-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-04-09 US disclosed
US-20170092883-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-03-30 US disclosed
US-20150280149-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-10-01 US disclosed
US-9113535-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-08-18 US disclosed
US-20120001155-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-05 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 (4 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-10256421-B2 Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications PPOX, HMBS, TYR ALOX5 3220/4885TYR 3/4885CYP3A4 224/4885
US-20150280149-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR ALOX5 3222/4885TYR 3/4885CYP3A4 258/4885
US-20120001155-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, NONO ALOX5 3202/4885TYR 4/4885CYP3A4 221/4885
US-20170092883-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR ALOX5 3222/4885TYR 3/4885CYP3A4 258/4885

“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.