SCHEMBL107512

SCHEMBL107512

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 2/20 0.36
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
FFAR1 O14842 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL108864 0.81 CA2 (0.61) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL16449214 0.80 CA2 (0.48) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL13967808 0.80 CA2 (0.48) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL109749 0.76 CA2 (0.44) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL31346305 0.75 CA2 (0.55) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL13967787 0.74 CA2 (0.42) CA2ALDH1A1TDP1CYP2C19
SCHEMBL16449220 0.74 CA2 (0.42) CA2ALDH1A1TDP1CA1CYP2C19
SCHEMBL25404425 0.73
2-Oxoisohexanoate SCHEMBL43491 0.73
SCHEMBL13976940 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-3230463-B2 RAPID PRETREATMENT APALTA PATENTS OUE (EE) 2025-07-16 EP disclosed
US-20240425893-A1 RAPID PRETREATMENT Apalta Patents OÜ (EE) 2024-12-26 US disclosed
US-12054761-B2 Rapid pretreatment Apalta Patents OÜ (EE) 2024-08-06 US disclosed
US-11821047-B2 High pressure zone formation for pretreatment Apalta Patent OÜ (EE) 2023-11-21 US disclosed
US-20230295678-A1 RAPID PRETREATMENT Apalta Patents OÜ (EE) 2023-09-21 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
CN-1177822-C Novel bipyridyl derivatives ��Э��ѧ��ʽ���� 2004-12-01 CN disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
CN-1390202-A Novel bipyridyl derivatives SANKIO CHEMICAL CO LTD (JP) 2003-01-08 CN disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 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 (2 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-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA CA2 3146/4885ALDH1A1 753/4885TDP1 2746/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CA2 607/4885ALDH1A1 1863/4885TDP1 1942/4885

“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.