SCHEMBL22985303

SCHEMBL22985303

Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)ccc1-c1ccc(-c2ccc(C#N)cc2C(F)(F)F)cc1-n1c2ccccc2c2cc(C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.36
PTGER4 P35408 1/20 0.34
NSD2 O96028 1/20 0.32
PGR P06401 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TRPA1 O75762 1/20 0.32
KIF11 P52732 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ELANE P08246 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL22985555 0.96 AR (0.35) ARPTGER4NSD2PGRAKR1C3
SCHEMBL22985597 0.96 AR (0.35) ARPTGER4NSD2PGRAKR1C3
SCHEMBL22985311 0.95 AR (0.37) ARNSD2AKR1C3AKR1C2KIF11
SCHEMBL20848802 0.94 KIF11 (0.34) ARPTGER4NSD2KIF11ELANE
SCHEMBL22985561 0.94 AR (0.38) ARPTGER4NSD2PGRAKR1C3
SCHEMBL22985551 0.94 AR (0.40) ARPTGER4NSD2PGRAKR1C3
SCHEMBL22985306 0.93 AR (0.39) ARPTGER4NSD2PGRTRPA1
SCHEMBL22985568 0.92 AR (0.43) ARPTGER4NSD2PGRKIF11
SCHEMBL22985683 0.92 AR (0.36) ARPTGER4NSD2PGRAKR1C3
SCHEMBL22985557 0.91 AR (0.35) ARPTGER4NSD2PGRTRPA1

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 3541/4885PTGER4 3301/4885NSD2 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.