SCHEMBL22985014

SCHEMBL22985014

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(C#N)c2-c2c(-c3ccc(C#N)cc3C(F)(F)F)cccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.44
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGER4 P35408 1/20 0.33
ENPP1 P22413 1/20 0.33
PDK2 Q15119 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 1/20 0.32
PGR P06401 3/20 0.32

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
SCHEMBL22985633 0.97 AR (0.47) ARPDE3BPDE3AENPP1PDK2
SCHEMBL22985146 0.95 AR (0.37) ARPDE3BPDE3APTGER4PDK2
SCHEMBL22985635 0.94 AR (0.40) ARPDE3BPDE3APTGER4PDK2
SCHEMBL22985081 0.93 AR (0.35) ARPDE3BPDE3APDK2GABRA1
SCHEMBL22985634 0.92 AR (0.34) ARPDE3BPDE3AGABRA1GABRG2
SCHEMBL22985149 0.92 KIF11 (0.36) ARPDE3BPDE3APTGER4PDK2
SCHEMBL22985534 0.92 AR (0.40) ARPDE3BPDE3APTGER4GABRA1
SCHEMBL20849104 0.92 AR (0.44) ARPDE3BPDE3AENPP1PDK2
SCHEMBL22985144 0.92 AR (0.37) ARPDE3BPDE3APTGER4PGR
SCHEMBL22985148 0.91 AR (0.40) ARPDE3BPDE3APDK2GABRA1

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 3541/4885PDE3B 3219/4885PDE3A 3604/4885

“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.