SCHEMBL22985604

SCHEMBL22985604

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(C#N)cc2C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.34
KIF11 P52732 2/20 0.32
RORC P51449 1/20 0.32
PGR P06401 3/20 0.31
ELANE P08246 2/20 0.30
NR3C1 P04150 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
NSD2 O96028 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
SCHEMBL22985598 0.97 AR (0.34) ARKIF11RORCPGR
SCHEMBL22985124 0.95 AR (0.35) ARKIF11RORCPGRELANE
SCHEMBL20849109 0.93 AR (0.35) ARPGRNR3C1
SCHEMBL22985105 0.93 AR (0.38) ARKIF11PGRTRPV4GABRA1
SCHEMBL22985104 0.91 AR (0.35) ARKIF11RORCPGRELANE
SCHEMBL20849164 0.91 AR (0.35) ARKIF11PGRELANEGABRA1
SCHEMBL22984993 0.90 KIF11 (0.37) ARKIF11PGRGABRA1GABRG2
SCHEMBL22984994 0.90 AR (0.36) ARKIF11PGRGABRA1GABRG2
SCHEMBL20848801 0.90 AR (0.35) ARKIF11RORCPGRGABRA1
SCHEMBL22985276 0.89 AR (0.40) ARPGRNR3C1GABRA1GABRG2

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 525/4885RORC 188/4885

“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.