SCHEMBL17625232

SCHEMBL17625232

CC1(c2ccc(CCOC(=O)Cc3ccc(C4(C)N=N4)cc3)cc2)N=N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.48
ALOX5 P09917 1/20 0.44
CYP19A1 P11511 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
APP P05067 2/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MET P08581 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TBXAS1 P24557 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19399246 0.89 YWHAG (0.39) YWHAGALOX5CYP19A1CYP4F2CYP4A11
SCHEMBL17625241 0.79 KMT2A (0.56) ALDH1A1L3MBTL1POLB
SCHEMBL17600534 0.78 YWHAG (0.44) YWHAGALOX5CYP19A1CYP4F2CYP4A11
SCHEMBL17625239 0.77 TDP1 (0.36) CYP19A1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL17625226 0.77 KCNH2 (0.36) GAA
SCHEMBL15153035 0.75 YWHAG (0.62) YWHAGALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL17481953 0.75 CA2 (0.50) ALDH1A1GAATSHRTDP1POLB
SCHEMBL28889136 0.74 YWHAG (0.43) YWHAGALOX5CYP19A1CYP4F2CYP4A11
SCHEMBL245747 0.73 ALDH1A1 (0.66) YWHAGALOX5ALDH1A1L3MBTL1TSHR
SCHEMBL17625655 0.72 YWHAG (0.44) YWHAGALOX5CYP19A1CYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 YWHAG 1741/4885ALOX5 28/4885CYP19A1 6/4885

“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.