SCHEMBL17032015

SCHEMBL17032015

Cn1c(=O)c2ccc3c(=O)c(=O)c4ccc(c1=O)c2c34

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 4/20 0.34
TERT O14746 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25C P30307 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4959984 0.92 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL17547705 0.82 CDC25A (0.40) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL7485274 0.79 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL7486342 0.78 TERT (0.36) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL19062815 0.78 TERT (0.33) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL19062420 0.78 TERT (0.33) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL19199215 0.76 CDC25A (0.34) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL11976903 0.74 RXFP1 (0.37) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL29978703 0.71 KDM4E (0.31) KDM4EMAPTHTTATMALDH1A1
SCHEMBL982392 0.71 KDM4E (0.31) KDM4EMAPTHTTATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809594-B2 Non-fullerene electron acceptors for organic photovoltaic devices UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-11-07 US disclosed
US-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES UNIVERSITY OF WASHINGTON (US) 2017-03-02 US disclosed
US-9508937-B2 Acenaphthylene imide-derived semiconductors UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-11-29 US disclosed
US-9508937-B2 Acenaphthylene imide-derived semiconductors UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-11-29 US disclosed
US-20150243906-A1 ACENAPHTHYLENE IMIDE-DERIVED SEMICONDUCTORS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-08-27 US disclosed
US-20150243906-A1 ACENAPHTHYLENE IMIDE-DERIVED SEMICONDUCTORS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-08-27 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 (2 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-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES VDAC1, SLC19A1, SLC46A1 ADORA3 2736/4885ADORA2A 2381/4885ADORA2B 3136/4885
US-20150243906-A1 ACENAPHTHYLENE IMIDE-DERIVED SEMICONDUCTORS ACE, ACE2, AQP4 ADORA3 2750/4885ADORA2A 3696/4885ADORA2B 4250/4885

“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.