SCHEMBL22985002

SCHEMBL22985002

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.38
PTGER4 P35408 1/20 0.34
TRPA1 O75762 2/20 0.32
ELANE P08246 2/20 0.31
NSD2 O96028 1/20 0.31
RORC P51449 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
HSD11B1 P28845 1/20 0.31
PGR P06401 1/20 0.30
PDPK1 O15530 1/20 0.30
KIF11 P52732 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL22985385 0.96 AR (0.37) ARPTGER4TRPA1ELANENSD2
SCHEMBL22985090 0.96 AR (0.37) ARPTGER4TRPA1ELANENSD2
SCHEMBL22985401 0.95 AR (0.37) ARTRPA1ELANENSD2AKR1C3
SCHEMBL20848745 0.95 AR (0.36) ARPTGER4TRPA1ELANEKIF11
SCHEMBL22985683 0.94 AR (0.36) ARPTGER4TRPA1ELANENSD2
SCHEMBL20849615 0.93 AR (0.37) ARPTGER4TRPA1ELANERORC
SCHEMBL22985561 0.93 AR (0.38) ARPTGER4TRPA1ELANENSD2
SCHEMBL22985269 0.93 AR (0.36) ARPTGER4TRPA1ELANENSD2
SCHEMBL22985418 0.93 AR (0.47) ARPTGER4TRPA1ELANENSD2
SCHEMBL22985004 0.93 AR (0.40) ARPTGER4TRPA1NSD2RORC

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 3301/4885TRPA1 91/4885

“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.