SCHEMBL4865330

SCHEMBL4865330

COC(=O)C(C(C)=O)C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP2C19 P33261 2/20 0.57
LMNA P02545 1/20 0.55
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.45
CPA1 P15085 2/20 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
SCHEMBL13203308 0.93 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL16785484 0.93 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL18515737 0.93 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL29434423 0.93 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL4908931 0.90 ALDH1A1 (0.56) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL5243446 0.90 ALDH1A1 (0.59) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL4111632 0.88 CPA1 (0.45) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL2628014 0.88 CPA1 (0.45) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL2418725 0.88 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNACYP3A4KMT2A
SCHEMBL16659739 0.88 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNACYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-06-11 US disclosed
US-9035075-B1 Catalyst for organic reaction and method of use thereof Research & Business Foundation Sungkyunkwan University (KR) 2015-05-19 US disclosed
US-9035075-B1 Catalyst for organic reaction and method of use thereof Research & Business Foundation Sungkyunkwan University (KR) 2015-05-19 US disclosed
US-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF Research & Business Foundation Sungkyunkwan University (KR) 2015-04-30 US disclosed
US-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF Research & Business Foundation Sungkyunkwan University (KR) 2015-04-30 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
CN-100354249-C Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU (JP) 2007-12-12 CN disclosed
CN-1626501-A Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU (JP) 2005-06-15 CN 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 (3 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-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF SCO2, OGDH, AOC2 ALDH1A1 2622/4885CYP2C19 269/4885LMNA 1954/4885
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 ALDH1A1 1008/4885CYP2C19 98/4885LMNA 1251/4885
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS LIG4, DDT, MCM4 ALDH1A1 460/4885CYP2C19 522/4885LMNA 985/4885

“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.