SCHEMBL21116485

SCHEMBL21116485

Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)c(-n5c6ccccc6c6ccc(-c7ccccc7C)cc65)c4)ccc3C#N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
IMPDH2 P12268 2/20 0.35
PGR P06401 4/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 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
SCHEMBL21116529 0.96 AR (0.51) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21116528 0.93 AR (0.48) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL23798661 0.91 AR (0.41) ARIMPDH2PGRALDH1A1NR3C1
SCHEMBL23798858 0.90 AR (0.38) ARIMPDH2ALDH1A1HPGDLMNA
SCHEMBL20150293 0.89 AR (0.41) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21116527 0.89 AR (0.51) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21116873 0.89 TRPA1 (0.41) ARIMPDH2TSHRALDH1A1HPGD
SCHEMBL21131397 0.87 AR (0.47) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL20150304 0.85 AR (0.44) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21116543 0.85 AR (0.38) ARIMPDH2ALDH1A1LMNASMN1; SMN2

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 1096/4885IMPDH2 4294/4885PGR 2665/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885IMPDH2 4355/4885PGR 2701/4885

“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.