SCHEMBL697801

SCHEMBL697801

CC(C)CCOC(=O)OCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
THRA P10827 1/20 0.33

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
SCHEMBL17075163 0.89 CA1 (0.50) CA1CA12CA2CA9MAPK1
SCHEMBL610682 0.89 CA1 (0.50) CA1CA12CA2CA9MAPK1
Bicarbonate SCHEMBL28723134 0.84 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL7041198 0.83 CA12 (0.39) CA1CA12CA2CA9MAPK1
SCHEMBL13301164 0.80 TSHR (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL5511449 0.80 ALDH1A1 (0.59) CA1CA12CA2CA9MAPK1
SCHEMBL5009623 0.80 CA12 (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL14311948 0.79 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL305153 0.79 MAPK1 (0.47) CA1CA12CA2CA9MAPK1
Isopropyl Alcohol SCHEMBL28255482 0.79 ALDH1A1 (0.41) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP disclosed
US-4426391-A [(Alkoxycarbonyl)oxy]alkyl esters of methyldopa MERCK & CO., INC. (US) 1984-01-17 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 (5 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 CA1 693/4885CA12 698/4885CA2 580/4885

“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.