SCHEMBL21758337

SCHEMBL21758337

N#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CHUK O15111 1/20 0.33
CYP11B2 P19099 6/20 0.33
CYP11B1 P15538 4/20 0.33
PTGER4 P35408 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 2/20 0.31
RORC P51449 2/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL21758338 1.00 CYP19A1 (0.35) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL21758574 0.93 CHUK (0.39) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL21396776 0.93 CHUK (0.37) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL21758177 0.92 CYP19A1 (0.36) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL21758176 0.92 CYP19A1 (0.36) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL21758344 0.89 KDM4E (0.38) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL18374585 0.88 KDM4E (0.40) PTGER4KDM4EATML3MBTL1RORC
SCHEMBL21758717 0.88 CYP11B2 (0.36) CHUKCYP11B2CYP11B1PTGER4TNKS2
SCHEMBL21758709 0.88 CYP19A1 (0.34) CYP19A1CHUKCYP11B2CYP11B1PTGER4
SCHEMBL26238194 0.87 KDM4E (0.37) PTGER4KDM4EATML3MBTL1RORC

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP19A1 2762/4885CHUK 1699/4885CYP11B2 1243/4885

“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.