SCHEMBL13055451

SCHEMBL13055451

CC(=O)/C=C(\C)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.30

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
SCHEMBL28568597 0.80 KDM4E (0.48) MGAMGAASIMGAM2HTT
SCHEMBL15693960 0.80 LDHA (0.42) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL9577628 0.77 GAA (0.39) MGAMGAASIMGAM2HTT
SCHEMBL1785020 0.75
SCHEMBL1785021 0.75
SCHEMBL10875817 0.74 KDM4E (0.39) MGAMGAASIMGAM2HTT
SCHEMBL10631628 0.74 KDM4E (0.39) MGAMGAASIMGAM2HTT
SCHEMBL1703734 0.73
SCHEMBL1703735 0.73
SCHEMBL13623231 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-7838519-B2 Maytansinoid analogs as antitumor agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-23 US disclosed
US-20080249085-A1 Maytansinoid Analogs as Antitumor Agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-09 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-20080249085-A1 Maytansinoid Analogs as Antitumor Agents AREG, HASPIN, NTPCR MGAM 2331/4885GAA 104/4885SI 1491/4885

“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.