SCHEMBL21116528

SCHEMBL21116528

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.48
IMPDH2 P12268 2/20 0.35
PGR P06401 2/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CLK4 Q9HAZ1 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
NR3C1 P04150 1/20 0.33
ICMT O60725 1/20 0.33
TGFBR1 P36897 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL21116527 0.96 AR (0.51) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21116485 0.93 AR (0.48) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL23798661 0.91 AR (0.41) ARIMPDH2PGRALDH1A1NR3C1
SCHEMBL21116552 0.90 AR (0.38) ARIMPDH2ALDH1A1HSD17B10HPGD
SCHEMBL20150319 0.89 AR (0.41) ARPGRTSHRALDH1A1HSD17B10
SCHEMBL21116876 0.89 TRPA1 (0.41) ARIMPDH2TSHRALDH1A1HSD17B10
SCHEMBL21116529 0.89 AR (0.51) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL21131399 0.87 AR (0.47) ARIMPDH2PGRTSHRALDH1A1
SCHEMBL19917535 0.86 AR (0.42) ARTSHRALDH1A1HSD17B10HPGD
SCHEMBL20150301 0.85 AR (0.44) ARPGRTSHRALDH1A1HSD17B10

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
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US 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.