SCHEMBL1107373

SCHEMBL1107373

CC(C)C1OC(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDC25B P30305 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2606679 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10MEN1
SCHEMBL4472838 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHSD17B10MEN1
SCHEMBL18409005 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHSD17B10MEN1
SCHEMBL28981497 0.84 AKT1 (0.40) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL30366625 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL4195577 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL7938874 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL11381183 0.79 POLB (0.43) ALDH1A1GAAKMT2ACDC25BMAPT
SCHEMBL20215642 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL13202103 0.78 MEN1 (0.33) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115932126-A Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2023-04-07 CN claimed
CN-115901976-A Detection method for measuring 3-butyl-1 (3H) -isobenzofuranone related substances by adopting HPLC 河北菲尼斯生物技术有限公司 2023-04-04 CN claimed
CN-115932126-B Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2025-06-06 CN disclosed
US-11834413-B2 Antiplatelet drugs and uses thereof SHANGHAI CUREGENE PHARMACEUTICAL CO LTD. (CN) 2023-12-05 US disclosed
WO-2023214059-A1 DIPHENYLPYRAZINE COMPOUNDS AS PRODRUGS ACTELION PHARMACEUTICALS LTD (CH) 2023-11-09 WO disclosed
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2023-09-14 US disclosed
EP-4219508-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE AND PRODRUG THEREOF Shionogi & Co., Ltd (JP) 2023-08-02 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
CN-115932126-A Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2023-04-07 CN disclosed
CN-115932126-A Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2023-04-07 CN disclosed
CN-115901976-A Detection method for measuring 3-butyl-1 (3H) -isobenzofuranone related substances by adopting HPLC 河北菲尼斯生物技术有限公司 2023-04-04 CN disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 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 (7 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-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof NR0B1, NR3C1, NFKB2 ALDH1A1 3765/4885KDM4E 2756/4885GAA 4315/4885
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 ALDH1A1 799/4885KDM4E 821/4885GAA 92/4885
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 ALDH1A1 1319/4885KDM4E 1325/4885GAA 4535/4885
US-11834413-B2 Antiplatelet drugs and uses thereof PFKP, GP6, PF4 ALDH1A1 734/4885KDM4E 4730/4885GAA 384/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885KDM4E 2518/4885GAA 2012/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ALDH1A1 1029/4885KDM4E 2185/4885GAA 2542/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885KDM4E 2164/4885GAA 30/4885

“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.