SCHEMBL4859412

SCHEMBL4859412

COC(=O)C(C(=O)OC)C(CC#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
PBRM1 Q86U86 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.42
CTSK P43235 1/20 0.40
TSHR P16473 1/20 0.40
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A3 Q01959 3/20 0.39

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
SCHEMBL7739376 0.86 MMP8 (0.47) KMT2AMEN1TSHRSLC6A3
SCHEMBL20411541 0.85 PBRM1 (0.48) KMT2APBRM1CYP2C19ALDH1A1
SCHEMBL5643025 0.81 KMT2A (0.53) KMT2APBRM1PTGS1PTGS2CTSS
SCHEMBL16732180 0.80 KMT2A (0.56) KMT2APTGS1PTGS2CYP3A4CYP2C19
SCHEMBL13239389 0.78 KMT2A (0.53) KMT2APTGS1PTGS2CYP3A4CYP2C19
SCHEMBL16732226 0.78 KMT2A (0.53) KMT2APTGS1PTGS2CYP3A4CYP2C19
SCHEMBL7109702 0.76 KMT2A (0.66) KMT2APTGS1PTGS2CYP3A4MEN1
SCHEMBL10448370 0.76 KMT2A (0.66) KMT2APTGS1PTGS2CYP3A4MEN1
SCHEMBL11357210 0.76 MMP8 (0.46) KMT2AMEN1TSHRALDH1A1SLC6A3
SCHEMBL18264194 0.74 PBRM1 (0.52) PBRM1PTGS1PTGS2TSHRALDH1A1

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-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 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-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 KMT2A 2915/4885PBRM1 2430/4885PTGS1 251/4885

“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.