SCHEMBL3176102

SCHEMBL3176102

CC(C)(C)ON(C=O)CCCC(N)=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 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
SCHEMBL1328304 0.93 SOAT1 (0.36) MAOAMAOBMEN1FAAHTP53
SCHEMBL4522063 0.86 SLC22A6 (0.39) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL1231630 0.81 LMNA (0.38) MEN1KMT2A
SCHEMBL292628 0.79 TDP1 (0.31) MAOAMAOB
SCHEMBL3982585 0.79
SCHEMBL1467658 0.79 TDP1 (0.31)
SCHEMBL9866159 0.79 TSHR (0.40) MEN1KMT2A
SCHEMBL3903619 0.78 TSHR (0.36)
SCHEMBL7704514 0.78 CHRM2 (0.35)
SCHEMBL6937746 0.77

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-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 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-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR MAOA 4114/4885MAOB 3676/4885MEN1 1814/4885

“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.