SCHEMBL20150311

SCHEMBL20150311

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ABCG2 Q9UNQ0 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 2/20 0.33
GRM2 Q14416 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
SCHEMBL20150307 0.94 ABCG2 (0.35) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL20150325 0.92 ADORA1 (0.39) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL20150308 0.89 NPSR1 (0.37) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL21108392 0.88 GRM2 (0.35) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL20150301 0.88 AR (0.44) HPGDNPSR1ABCG2CYP1A2CYP2C9
SCHEMBL20114510 0.88 ABCG2 (0.40) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL21108407 0.87 GRM2 (0.36) KDM4EADORA2AADORA1HPGDNPSR1
SCHEMBL22243211 0.87 ALDH1A1 (0.36) KDM4EHPGDABCG2ADORA3MAPT
SCHEMBL20150305 0.87 AR (0.43) KDM4EADORA2AADORA1HPGDABCG2
SCHEMBL21116275 0.87 AR (0.36) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 KDM4E 2860/4885ADORA2A 4665/4885ADORA1 4253/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 KDM4E 2860/4885ADORA2A 4665/4885ADORA1 4253/4885

“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.