SCHEMBL899151

SCHEMBL899151

COc1ccc(C=O)c(OC(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
TRIM24 O15164 1/20 0.54
TYR P14679 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CYP1A2 P05177 8/20 0.50
CYP1A1 P04798 6/20 0.50
CYP1B1 Q16678 6/20 0.50
ERN1 O75460 3/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A3 P47895 1/20 0.46
NFE2L2 Q16236 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12540995 0.89 ALDH1A1 (0.55) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL3633730 0.86 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL27945949 0.86 ALDH1A1 (0.56) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL96291 0.83 ALDH1A1 (1.00) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL15329865 0.83 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL5026272 0.83 CYP1A2 (0.50) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
Hydrochloric Acid SCHEMBL9456784 0.82 ALDH1A1 (0.96) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL5561328 0.82 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL15330720 0.82 ALDH1A1 (0.59) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL5566174 0.81 ALDH1A1 (0.80) ALDH1A1TRIM24TYRTRIM33CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339544-A1 Epidermal growth factor receptor inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2020-10-29 US disclosed
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
US-10647702-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-05-12 US disclosed
US-10647702-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-05-12 US disclosed
CN-108610332-B Inducing MDM2 to self-degrade E3 ubiquitin ligase dimer ester small molecules PROTACs 绍兴文理学院 2020-04-03 CN disclosed
CN-108610333-B Inducing MDM2 to self-degrade E3 ubiquitin ligase dimer amide micromolecule PROTACs 绍兴文理学院 2020-04-03 CN disclosed
US-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2019-11-14 US disclosed
US-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2019-11-14 US disclosed
US-20180291004-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2018-10-11 US disclosed
EP-2621275-B1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2018-03-28 EP disclosed
US-20160297800-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDREN'S RES HOSPITAL (US) 2016-10-13 US disclosed
US-9266860-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-23 US disclosed
US-9266860-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-23 US disclosed
US-9266860-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-23 US disclosed
US-20130345237-A1 ARYL-SUBSTITUTED IMIDAZOLES ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2013-12-26 US disclosed
EP-2621275-A1 ARYL-SUBSTITUTED IMIDAZOLES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-08-07 EP disclosed
WO-2012045018-A1 ARYL-SUBSTITUTED IMIDAZOLES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-04-05 WO disclosed
WO-2012045018-A1 ARYL-SUBSTITUTED IMIDAZOLES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-04-05 WO disclosed
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP disclosed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 WO 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 (6 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-20130345237-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 ALDH1A1 2758/4885TRIM24 22/4885TYR 1026/4885
US-20180291004-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 ALDH1A1 2758/4885TRIM24 22/4885TYR 1026/4885
US-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 ALDH1A1 2758/4885TRIM24 22/4885TYR 1026/4885
US-20200339544-A1 Epidermal growth factor receptor inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 3189/4885TRIM24 4447/4885TYR 429/4885
US-10647702-B2 Aryl-substituted imidazoles MDM2, TP53, MDM4 ALDH1A1 2758/4885TRIM24 22/4885TYR 1026/4885
US-20160297800-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 ALDH1A1 2758/4885TRIM24 22/4885TYR 1026/4885

“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.