SCHEMBL22985495

SCHEMBL22985495

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1-c1cc(-c2ccc(C#N)cc2C(F)(F)F)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
TRPV4 Q9HBA0 1/20 0.36
NSD2 O96028 1/20 0.34
NR3C1 P04150 1/20 0.34
AR P10275 6/20 0.34
RORC P51449 1/20 0.33
CSNK1D P48730 2/20 0.32
CSNK1G2 P78368 2/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CYP11B2 P19099 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 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
SCHEMBL22985556 0.96 KIF11 (0.37) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985586 0.96 KIF11 (0.37) KIF11TRPV4NSD2NR3C1AR
SCHEMBL20848898 0.96 KIF11 (0.37) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985687 0.95 RORC (0.36) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985422 0.93 KIF11 (0.40) KIF11TRPV4NSD2AR
SCHEMBL20848775 0.92 KIF11 (0.36) KIF11TRPV4NSD2NR3C1AR
SCHEMBL20848415 0.92 KIF11 (0.36) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985313 0.91 KIF11 (0.39) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985286 0.91 RORC (0.35) KIF11TRPV4NSD2NR3C1AR
SCHEMBL22985562 0.91 AR (0.34) KIF11TRPV4NSD2NR3C1AR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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 (1 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 KIF11 525/4885TRPV4 145/4885NSD2 756/4885

“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.