SCHEMBL22985108

SCHEMBL22985108

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.41
KIF11 P52732 1/20 0.33
PGR P06401 4/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL22985107 0.97 AR (0.39) ARKIF11PGR
SCHEMBL22984993 0.95 KIF11 (0.37) ARKIF11PGR
SCHEMBL22985279 0.94 AR (0.39) ARKIF11PGR
SCHEMBL22985109 0.94 AR (0.45) ARKIF11PGRHCRTR1HCRTR2
SCHEMBL22985282 0.93 AR (0.37) ARPGRHCRTR1HCRTR2ELANE
SCHEMBL22985599 0.93 AR (0.37) ARKIF11PGR
SCHEMBL22985278 0.92 AR (0.35) ARKIF11PGR
SCHEMBL22985105 0.92 AR (0.38) ARKIF11PGR
SCHEMBL22985624 0.92 AR (0.35) ARHCRTR1HCRTR2ELANE
SCHEMBL22985602 0.91 AR (0.36) ARPGRHCRTR1HCRTR2

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 AR 3541/4885KIF11 525/4885PGR 3779/4885

“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.