SCHEMBL21116334

SCHEMBL21116334

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)c(-n4c5ccccc5c5cc(-c6cccc(C)c6)ccc54)c3)ccc2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
CTRB1 P17538 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
IMPDH2 P12268 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR4 O95977 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL21116333 0.95 AR (0.51) ARKDM4EMAPTL3MBTL1ADORA2A
SCHEMBL21116336 0.93 AR (0.47) ARKDM4EMAPTF2PLAU
SCHEMBL20150303 0.91 AR (0.40) ARKDM4EMAPTF2PLAU
SCHEMBL21116459 0.91 AR (0.38) ARKDM4EMAPTL3MBTL1IMPDH2
SCHEMBL21116545 0.91 AR (0.38) ARKDM4EMAPTL3MBTL1IMPDH2
SCHEMBL21116546 0.88 TSPO (0.40) KDM4EL3MBTL1IMPDH2ALDH1A1HPGD
SCHEMBL20150305 0.87 AR (0.43) ARKDM4EMAPTL3MBTL1ADORA2A
SCHEMBL21131413 0.87 AR (0.44) ARKDM4EMAPTF2PLAU
SCHEMBL22519633 0.86 AR (0.45) ARKDM4EMAPTL3MBTL1ADORA2A
SCHEMBL24926840 0.86 PDE9A (0.39) ARKDM4EMAPTIMPDH2ALDH1A1

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 1656/4885MAPT 4572/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885KDM4E 1959/4885MAPT 4555/4885

“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.