SCHEMBL17625655

SCHEMBL17625655

O=C(Cc1ccc(C2(C(F)(F)F)NN2)cc1)OCCc1ccc(C2(C(F)(F)F)NN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.44
ALOX5 P09917 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
APP P05067 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PAM P19021 1/20 0.33

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
SCHEMBL17625658 0.81 KMT2A (0.49) ALDH1A1L3MBTL1PAM
SCHEMBL17600534 0.81 YWHAG (0.44) YWHAGALOX5PPARGPPARACYP4F2
SCHEMBL28889136 0.80 YWHAG (0.43) YWHAGALOX5PPARGPPARACYP4F2
SCHEMBL17625646 0.79 CA1 (0.31) CA1CA2
SCHEMBL17625650 0.79 CES1 (0.35) L3MBTL1TDP1CA2
SCHEMBL17484415 0.77 CA2 (0.46) ALDH1A1GAATSHRTDP1CA2
SCHEMBL17625647 0.75 ESR1 (0.40) ALDH1A1GAATSHRMAPK1TDP1
SCHEMBL16385087 0.75 KMT2A (0.34) MAPK1
SCHEMBL19399246 0.75 YWHAG (0.39) YWHAGALOX5PPARGPPARACYP4F2
SCHEMBL24862423 0.74 YWHAG (0.39) YWHAGALOX5PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693072-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2020-06-23 US disclosed
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20190157558-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2019-05-23 US disclosed
US-10256409-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2019-04-09 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20170279048-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2017-09-28 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 (3 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 28/4885PPARG 191/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX YWHAG 1933/4885ALOX5 37/4885PPARG 1246/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX YWHAG 1933/4885ALOX5 37/4885PPARG 1246/4885

“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.