SCHEMBL22985386

SCHEMBL22985386

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
XDH P47989 2/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
AR P10275 4/20 0.32
PPARG P37231 4/20 0.31
MC2R Q01718 1/20 0.31
PTPN5 P54829 1/20 0.31
PPARA Q07869 1/20 0.31
PTGES O14684 1/20 0.31
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL22985522 0.96 ALOX5AP (0.37) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985629 0.96 ALOX5AP (0.41) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL20849109 0.93 AR (0.35) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985390 0.92 ALOX5AP (0.39) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985521 0.91 ALOX5AP (0.39) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985221 0.91 ALOX5AP (0.40) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL21399502 0.91 TSHR (0.37) TSHRSMN1; SMN2ARPPARGPPARA
SCHEMBL22985394 0.90 ALOX5AP (0.39) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985546 0.90 AR (0.38) ALOX5APFEN1XDHTSHRSMN1; SMN2
SCHEMBL22985392 0.90 ALOX5AP (0.39) ALOX5APFEN1XDHTSHRSMN1; SMN2

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 2939/4885XDH 1167/4885

“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.