SCHEMBL4117018

SCHEMBL4117018

Cc1ccc(C=C(C#N)C(=O)CC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.44
▸ SLC16A3 O15427 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SLC16A1 P53985 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44

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
SCHEMBL4117015 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1USP2RECQL
SCHEMBL5463559 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTEGFR
SCHEMBL5463556 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTEGFR
SCHEMBL5449606 0.83 RPS6KA3 (0.45) ALDH1A1KMT2AMEN1MAPTEGFR
SCHEMBL5449601 0.83 RPS6KA3 (0.45) ALDH1A1KMT2AMEN1MAPTEGFR
SCHEMBL5451648 0.82 KDM4E (0.61) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5451650 0.82 KDM4E (0.61) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4113191 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1USP2RECQL
SCHEMBL4113196 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1USP2RECQL
SCHEMBL21457550 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 — — US disclosed
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 — — EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 — — 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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS DPP4, GPR119, DPP3 ALDH1A1 301/4885KMT2A 2991/4885MEN1 2180/4885

“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.

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