SCHEMBL21116249

SCHEMBL21116249

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.36
IMPDH2 P12268 1/20 0.35
AR P10275 7/20 0.33
SLC22A12 Q96S37 2/20 0.33
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 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
SCHEMBL21116549 0.94 IMPDH2 (0.36) KIF11IMPDH2ARSLC22A12KDM4E
SCHEMBL21116548 0.94 KIF11 (0.39) KIF11ARMAT2A
SCHEMBL20114514 0.88 SLC22A12 (0.33) KIF11SLC22A12MAT2AKDM4E
SCHEMBL21116476 0.88 KIF11 (0.48) KIF11ARMAT2A
SCHEMBL21116805 0.87 KIF11 (0.40) KIF11ARRORC
SCHEMBL28562707 0.86 KIF11 (0.39) KIF11ARKDM4ERORC
SCHEMBL19062273 0.85 KDM4E (0.42) IMPDH2ARSLC22A12KDM4EATM
SCHEMBL23798208 0.84 AR (0.32) ARSLC22A12
SCHEMBL21116849 0.84 KIF11 (0.41) KIF11AR
SCHEMBL21116544 0.83 AR (0.38) IMPDH2ARSLC22A12MAT2AKDM4E

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 KIF11 3544/4885IMPDH2 4294/4885AR 1096/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885IMPDH2 4355/4885AR 1080/4885

“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.