SCHEMBL22985010

SCHEMBL22985010

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.37
NSD2 O96028 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KIF11 P52732 1/20 0.33
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
ELANE P08246 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
TRPA1 O75762 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
KDM1A O60341 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
SCHEMBL22985091 0.96 AR (0.35) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985322 0.96 AR (0.35) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985561 0.95 AR (0.38) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL20849548 0.94 AR (0.34) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985311 0.94 AR (0.37) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL26777057 0.92 AR (0.35) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985009 0.92 AR (0.34) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985401 0.92 AR (0.37) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985554 0.92 AR (0.43) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL22985090 0.92 AR (0.37) ARNSD2ELANETRPA1

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 3541/4885NSD2 756/4885AKR1C3 3194/4885

“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.