SCHEMBL22985535

SCHEMBL22985535

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C#N)ccc1-c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KIF11 P52732 3/20 0.37
XDH P47989 2/20 0.34
DDR1 Q08345 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.32
STS P08842 1/20 0.32
SCN9A Q15858 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
GABRA1 P14867 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
SCHEMBL22985285 0.96 ALOX5AP (0.40) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985467 0.96 ALOX5AP (0.44) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985155 0.95 ALOX5AP (0.39) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985463 0.94 ALOX5AP (0.44) ALOX5APFEN1KIF11XDHPTGDR2
SCHEMBL22985316 0.93 ALOX5AP (0.43) ALOX5APFEN1KIF11XDHPTGDR2
SCHEMBL22985235 0.92 ALOX5AP (0.41) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985360 0.92 ALOX5AP (0.43) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985166 0.92 ALOX5AP (0.38) ALOX5APFEN1KIF11XDHDDR1
SCHEMBL22985153 0.91 ALOX5AP (0.41) ALOX5APFEN1KIF11XDHPTGDR2
SCHEMBL22985466 0.91 ALOX5AP (0.41) ALOX5APFEN1KIF11XDHPTGDR2

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 ALOX5AP 2567/4885FEN1 2939/4885KIF11 525/4885

“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.