SCHEMBL226506

SCHEMBL226506

C1=Cc2cc3[nH]c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)c(-c1ccc2ccc4cccc5ccc1c2c45)c3-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL430372 0.86 STAT3 (0.50) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL430371 0.85 STAT3 (0.34) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL226507 0.85 STAT3 (0.48) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL28501396 0.84 STAT3 (0.33) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL28486323 0.84 STAT3 (0.33) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL224501 0.84 — —
Pyrene SCHEMBL223706 0.82 ALDH1A1 (0.44) STAT3STAT1ERBB2CYP1A2FYN
Pyrene SCHEMBL27924575 0.81 CYP1A2 (0.42) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL28607985 0.79 CYP1A2 (0.37) STAT3STAT1ERBB2CYP1A2FYN
SCHEMBL3116089 0.76 CYP1A2 (0.39) STAT3STAT1ERBB2CYP1A2FYN

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-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
EP-2590983-A2 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRIC APPLICATIONS The University Of Southern California (US) 2013-05-15 — — EP disclosed
WO-2012012117-A2 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRIC APPLICATIONS The University of Southern California USC Stevens Institute for Innovation (US) 2012-01-26 — — WO 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 STAT3 3947/4885STAT1 3941/4885ERBB2 2511/4885
US-20150280149-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR STAT3 3965/4885STAT1 3858/4885ERBB2 2950/4885
US-20120001155-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, NONO STAT3 3929/4885STAT1 3896/4885ERBB2 2884/4885
US-20170092883-A1 FUSING PORPHYRINS WITH POLYCYCLIC AROMATIC HYDROCARBONS AND HETEROCYCLES FOR OPTOELECTRONIC APPLICATIONS PPOX, HMBS, TYR STAT3 3965/4885STAT1 3858/4885ERBB2 2950/4885

“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.

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