SCHEMBL5991561

SCHEMBL5991561

CC/C(=C\C(=O)O)c1cncc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.54
SMYD3 Q9H7B4 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDPK1 O15530 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
POLB P06746 1/20 0.35
ESR1 P03372 2/20 0.34

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
SCHEMBL563577 0.78 HCAR2 (0.47) HCAR2CYP2C9CYP2C19PDPK1POLB
SCHEMBL11333194 0.76 PDPK1 (0.49) PDPK1POLBESR1
SCHEMBL1914008 0.76 PDPK1 (0.36) HCAR2PDPK1
SCHEMBL11335310 0.75 PDPK1 (0.55) PDPK1
Hydrochloric Acid SCHEMBL27356432 0.73 PDPK1 (0.54) PDPK1
SCHEMBL7486774 0.72 ESR1 (0.44) PDPK1ESR1
SCHEMBL486309 0.72 HCAR2 (1.00) HCAR2SMYD3CYP2C9CYP2C19MKNK1
SCHEMBL29944817 0.72 HCAR2 (1.00) HCAR2SMYD3CYP2C9CYP2C19MKNK1
SCHEMBL28695687 0.70 HCAR2 (0.96) HCAR2SMYD3CYP2C9CYP2C19MKNK1
Hydrochloric Acid SCHEMBL10401123 0.70 HCAR2 (0.96) HCAR2SMYD3CYP2C9CYP2C19MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 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-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 HCAR2 2624/4885SMYD3 2928/4885CYP2C9 1116/4885

“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.