SCHEMBL22985404

SCHEMBL22985404

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
AR P10275 8/20 0.36
NSD2 O96028 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
SYK P43405 1/20 0.32
CYP11B2 P19099 1/20 0.31
CASP3 P42574 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL22985399 0.96 KIF11 (0.34) KIF11ARNSD2TRPV4AKR1C3
SCHEMBL22985089 0.96 KIF11 (0.34) KIF11ARNSD2TRPV4AKR1C3
SCHEMBL22985268 0.95 AR (0.35) KIF11ARNSD2SYK
SCHEMBL20849069 0.94 KIF11 (0.34) KIF11ARNSD2ELANE
SCHEMBL22985003 0.93 AR (0.43) KIF11ARNSD2TRPV4AKR1C3
SCHEMBL22985423 0.92 AR (0.46) KIF11ARNSD2SYKCYP11B2
SCHEMBL22985011 0.92 KIF11 (0.36) KIF11ARNSD2TRPV4AKR1C3
SCHEMBL22985326 0.92 AR (0.34) KIF11ARNSD2SYK
SCHEMBL22985098 0.92 AR (0.34) KIF11ARNSD2SYK
SCHEMBL22985271 0.91 AR (0.34) KIF11ARNSD2TRPV4AKR1C3

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 525/4885AR 3541/4885NSD2 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.