SCHEMBL21116544

SCHEMBL21116544

Cc1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)c(-n5c6cc(C)ccc6c6ccc(C)cc65)c4)ccc3C#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
IMPDH2 P12268 1/20 0.38
PDE9A O76083 1/20 0.37
PDE1C Q14123 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MAT2A P31153 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 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
SCHEMBL21116543 1.00 AR (0.38) ARIMPDH2PDE9APDE1CMAOA
SCHEMBL21116545 0.92 AR (0.38) ARIMPDH2PDE9APDE1CMAOA
SCHEMBL21116459 0.92 AR (0.38) ARIMPDH2PDE9APDE1CMAOA
SCHEMBL21116336 0.91 AR (0.47) ARIMPDH2L3MBTL1LMNASMN1; SMN2
SCHEMBL23798858 0.89 AR (0.38) ARIMPDH2PDE9APDE1CMAOA
SCHEMBL19062273 0.89 KDM4E (0.42) ARIMPDH2MAOAMAOBL3MBTL1
SCHEMBL20114509 0.88 KDM4E (0.35) IMPDH2PDE9APDE1CMAOAMAOB
SCHEMBL21116486 0.86 ALDH1A1 (0.40) ARIMPDH2L3MBTL1LMNASMN1; SMN2
SCHEMBL21116457 0.86 ALDH1A1 (0.40) IMPDH2MAOAMAOBL3MBTL1HTT
SCHEMBL21116471 0.86 ALDH1A1 (0.40) ARIMPDH2L3MBTL1LMNASMN1; 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 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 4294/4885PDE9A 4620/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885IMPDH2 4355/4885PDE9A 4637/4885

“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.