SCHEMBL294153

SCHEMBL294153

COC(=O)C(C)=CC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NFKB1 P19838 1/20 0.30
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL11255718 1.00 ALDH1A1 (0.42) ALDH1A1KEAP1NFE2L2HCAR2MGAM
SCHEMBL294152 1.00 ALDH1A1 (0.42) ALDH1A1KEAP1NFE2L2HCAR2MGAM
SCHEMBL25246818 0.92 ALDH1A1 (0.48) ALDH1A1KEAP1NFE2L2HCAR2MGAM
SCHEMBL13931043 0.82 ALDH1A1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL18070830 0.82 ALDH1A1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2EGLN1
SCHEMBL2726802 0.82 PTGS1 (0.41) ALDH1A1KEAP1NFE2L2HCAR2EGLN1
SCHEMBL9068083 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19526556 0.80 ALDH1A1 (0.39) ALDH1A1KEAP1NFE2L2HCAR2EGLN1
SCHEMBL16656584 0.80 ALDH1A1 (0.39) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL27485285 0.80 PTGS1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2EGLN1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011169-A Process for producing optically active cyclopropanecaboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-04 US claimed
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 US claimed
CN-107954811-A Transforming oxygenated organic compound is the method for C_4 hydrocarbon class compound 中国石油化工股份有限公司 2018-04-24 CN disclosed
CN-103958533-B Optically active bisoxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-02-10 CN disclosed
EP-1783111-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-04-08 EP disclosed
CN-104080864-A Inkjet ink and inkjet recording device RICOH CO LTD 2014-10-01 CN disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
CN-103958533-A Optically active bis-oxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
EP-1607136-B1 OPTICALLY ACTIVE COPPER CATALYST COMPOSITION SUMITOMO CHEMICAL CO (JP) 2012-05-23 EP disclosed
EP-1683783-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1683782-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-01 US disclosed
EP-1120402-A2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
EP-1120401-A2 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
US-6011169-A Process for producing optically active cyclopropanecaboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-04 US disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed
EP-0891965-A1 Process for producing optically active cyclopropanecarboxylic acid esters SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-20 EP disclosed
CN-1205326-A Process for producing opitically active cyclopropanecaboxylic acid esters SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 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-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same AP1M1, UBA3, AP1S1 ALDH1A1 254/4885KEAP1 886/4885NFE2L2 676/4885

“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.