SCHEMBL13435214

SCHEMBL13435214

CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 19/20 0.60
MAOA P21397 11/20 0.57
MAOB P27338 11/20 0.57
EGFR P00533 1/20 0.57

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
SCHEMBL14326202 0.93 MAPT (0.52) ALDH2MAOAMAOBEGFR
SCHEMBL3591660 0.76 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL1701071 0.74 ALDH2 (0.93) ALDH2MAOAMAOB
SCHEMBL2108188 0.74 ALDH2 (0.62) ALDH2MAOAMAOBEGFR
SCHEMBL1701078 0.74 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL10624708 0.74 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL1701152 0.74 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4686444 0.73 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4679869 0.73 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4684115 0.73 ALDH2 (1.00) ALDH2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338624-B2 Isoflavone derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-12-25 US disclosed
US-8338624-B2 Isoflavone derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-12-25 US disclosed
US-20100069478-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO, LTD. (IL) 2010-03-18 US disclosed
US-20100069478-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO, LTD. (IL) 2010-03-18 US disclosed
WO-2008102350-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2008-08-28 WO 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-20100069478-A1 ISOFLAVONE DERIVATIVES AND USES THEREOF SHBG, CYP19A1, GPER1 ALDH2 2737/4885MAOA 689/4885MAOB 319/4885

“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.