SCHEMBL3698207

SCHEMBL3698207

CCOC(=O)c1cccc(C=O)n1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
MAPT P10636 1/20 0.57
TERT O14746 11/20 0.49
GAA P10253 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 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
SCHEMBL9938721 0.86 CYP1A2 (0.70) CYP1A2MAPTGAACA12CA1
SCHEMBL19732297 0.84 CYP1A2 (0.68) CYP1A2MAPTGAACA12CA1
SCHEMBL1478915 0.84 CYP1A2 (1.00) CYP1A2MAPTGAACA12CA1
SCHEMBL24358613 0.83 TSHR (0.49) CYP1A2MAPTTERTTSHR
SCHEMBL2348998 0.81 TERT (0.55) CYP1A2MAPTTERTGAA
SCHEMBL313825 0.80 TDP1 (0.50) CYP1A2MAPTTERTALDH1A1POLB
SCHEMBL13311109 0.80 CYP1A2 (0.77) CYP1A2MAPTGAACA12CA1
SCHEMBL15668847 0.80 CYP1A2 (0.77) CYP1A2MAPTGAACA12CA1
SCHEMBL109583 0.80 CYP1A2 (0.82) CYP1A2MAPTGAACA12CA1
SCHEMBL21911967 0.78 TERT (0.49) CYP1A2TERTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-10473643-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2019-11-12 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
EP-0863141-B1 SUBSTITUTED HETEROAROMATIC DERIVATIVES BANYU PHARMA CO LTD (JP) 2001-09-12 EP disclosed
US-6130232-A Substituted piperidine derivatives as muscarinic M3 receptor antagonists BANYU PHARMACEUTICAL COALTD (JP) 2000-10-10 US disclosed
EP-0863141-A1 SUBSTITUTED HETEROAROMATIC DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-09 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 (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-20100016298-A1 Theramutein modulators TSG101, SERPINE1, PLAUR CYP1A2 4586/4885MAPT 2984/4885TERT 934/4885

“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.