SCHEMBL21116552

SCHEMBL21116552

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)c(-n4c5ccccc5c5cc(-c6ccc(C)cc6C)ccc54)c3)ccc2C#N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
IMPDH2 P12268 1/20 0.33
GRM2 Q14416 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOA P21397 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HSP90AB1 P08238 1/20 0.32
MAOB P27338 1/20 0.32
PTGER4 P35408 1/20 0.32
NSD2 O96028 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
SCHEMBL21116275 0.94 AR (0.36) ARMAOAHSP90AB1MAOBCYP11B1
SCHEMBL23798858 0.93 AR (0.38) ARKDM4EALDH1A1HTTGLA
SCHEMBL20150307 0.90 ABCG2 (0.35) ARKDM4EALDH1A1HTTGLA
SCHEMBL21116528 0.90 AR (0.48) ARKDM4EALDH1A1IMPDH2MAPT
SCHEMBL21116459 0.89 AR (0.38) ARKDM4EALDH1A1HTTGLA
SCHEMBL21116545 0.89 AR (0.38) ARKDM4EALDH1A1HTTGLA
SCHEMBL21116554 0.88 PDE9A (0.32) ARPDE9APDE1CNSD2
SCHEMBL21131409 0.88 AR (0.37) ARKDM4EALDH1A1GLAGAA
SCHEMBL23798847 0.87 AR (0.36) ARMAOAHSP90AB1MAOBCYP11B1
SCHEMBL21116195 0.86 GRM2 (0.36) ARKDM4EALDH1A1GLAGAA

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 AR 1096/4885KDM4E 1656/4885ALDH1A1 2702/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885KDM4E 1959/4885ALDH1A1 2520/4885

“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.