SCHEMBL21116258

SCHEMBL21116258

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4)ccc3C(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.40
HSD11B1 P28845 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAT2A P31153 4/20 0.32
SCN5A Q14524 1/20 0.31
NR1I2 O75469 1/20 0.31
NOTUM Q6P988 1/20 0.31
ICMT O60725 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
SCHEMBL19953880 0.90 KIF11 (0.37) KIF11HSD11B1TRPV1SCN5ANOTUM
SCHEMBL21116899 0.89 KIF11 (0.44) KIF11MAT2ANOTUM
SCHEMBL10090573 0.86 KIF11 (0.40) KIF11HSD11B1
SCHEMBL21116268 0.86 KIF11 (0.40) KIF11HSD11B1
SCHEMBL21116255 0.85 KIF11 (0.39) KIF11
SCHEMBL23798850 0.85 KIF11 (0.39) KIF11
SCHEMBL21116535 0.83 KIF11 (0.52) KIF11MAT2A
SCHEMBL21116518 0.82 AR (0.39) KIF11HSD11B1NOTUM
SCHEMBL10090543 0.81 KIF11 (0.36) KIF11HSD11B1
SCHEMBL21116284 0.81 RXRA (0.37) KIF11NOTUMICMT

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 KIF11 3544/4885HSD11B1 1293/4885TRPV1 3267/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885HSD11B1 1242/4885TRPV1 3271/4885

“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.