SCHEMBL336818

SCHEMBL336818

CC(C)C(O)(C#N)CC#N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP1A2 P05177 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
SCHEMBL11118212 0.77
SCHEMBL3501288 0.74 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL28809303 0.73
SCHEMBL4903566 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12868887 0.65
SCHEMBL3341220 0.65
SCHEMBL1171506 0.64 CYP1A2 (0.31) CYP1A2
SCHEMBL2973761 0.64
SCHEMBL457883 0.64
Water SCHEMBL17800994 0.64

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-8258208-B2 Multifunctional azo initiators for free radical polymerizations: methods of preparation NALCO COMPANY (US) 2012-09-04 US disclosed
US-20120123072-A1 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: METHODS OF PREPARATION NALCO COMPANY 2012-05-17 US disclosed
US-8097687-B2 Multifunctional azo initiators for free radical polymerizations: uses thereof NALCO COMPANY (US) 2012-01-17 US disclosed
EP-2393580-A2 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: USES THEREOF Nalco Company (US) 2011-12-14 EP disclosed
WO-2010091345-A2 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: USES THEREOF NALCO COMPANY (US) 2010-08-12 WO disclosed
US-20100204362-A1 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: USES THEREOF ECOLAB USA INC. 2010-08-12 US disclosed
US-20100204361-A1 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: METHODS OF PREPARATION ECOLAB USA INC. 2010-08-12 US disclosed
WO-2010091333-A2 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: METHODS OF PREPARATION NALCO COMPANY (US) 2010-08-12 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-20120123072-A1 NOVEL MULTIFUNCTIONAL AZO INITIATORS FOR FREE RADICAL POLYMERIZATIONS: METHODS OF PREPARATION HCCS, DNMT3A, PAM ALDH1A1 2904/4885CYP2C19 270/4885CYP1A2 288/4885

“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.