SCHEMBL4413875

SCHEMBL4413875

CCOC(=O)CC#N.N#CC=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.47
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NLRP3 Q96P20 1/20 0.34
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL18824999 0.82 HCAR2 (0.64) HCAR2ALDH1A1TSHRCYP2C9CA12
SCHEMBL70685 0.82
Ammonia Solution, Strong SCHEMBL8823685 0.80
SCHEMBL6750259 0.80
SCHEMBL28807956 0.80 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL25408509 0.80
SCHEMBL3370470 0.80
Urethane SCHEMBL15229306 0.79 ALOX15 (0.54) HCAR2ALDH1A1KMT2AMEN1TSHR
SCHEMBL28258298 0.78 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11063668 0.78

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-20090317483-A1 Bicomponent Bioadhesive for Biomedical Use INSTITUTO OFTALMOLOGICO DE ALICANTE, S.L. (ES) 2009-12-24 US disclosed
EP-1825867-A1 BICOMPONENT BIOADHESIVE FOR BIOMEDICAL USE Instituto Oftalmologico de Alicante, S.L. (ES) 2007-08-29 EP 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-20090317483-A1 Bicomponent Bioadhesive for Biomedical Use PDGFA, PGF, BMP2 HCAR2 2204/4885MGAM 1160/4885GAA 2948/4885

“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.