SCHEMBL4799716

SCHEMBL4799716

COC(=O)/C=C/CCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CASP1 P29466 1/20 0.33
TTR P02766 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GFPT1 Q06210 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL4799720 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL11747448 0.89 HCAR2 (0.43) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL11747435 0.89 HCAR2 (0.43) HCAR2KEAP1NFE2L2MEN1KMT2A
Methacrylic Acid SCHEMBL28832901 0.88 ALDH1A1 (0.38) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL9999399 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL9999396 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL20010940 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL12620691 0.81 MAPT (0.56) HCAR2MEN1KMT2AMAPTALDH1A1
SCHEMBL15062325 0.77 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL21610096 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
US-7371890-B2 Method for the continuous production of a compound that carries at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070037999-A1 Method for isolating a homogeneous catalyst containing rhodium BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070034576-A1 Method for separating a homogeneous catalyst BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20060247459-A1 Method for the hydration of a monoolefinically unsaturated compound carrying at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
US-20060178525-A1 Method for the continuous production of a compound that carries at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 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-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC HCAR2 4699/4885KEAP1 3325/4885NFE2L2 3136/4885

“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.