SCHEMBL967635

SCHEMBL967635

CCN(C(=O)O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HSD11B1 P28845 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL970095 0.98 L3MBTL1 (0.51) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL967276 0.96 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL967470 0.89
SCHEMBL9837028 0.83 ADH1A (0.48) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL967634 0.83 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL30090134 0.83 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL658992 0.83 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL11288200 0.82 AGER (0.41) L3MBTL1
SCHEMBL1123364 0.81 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL967448 0.81 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109310582-A Dental composition 登特斯普伊德特雷有限公司 2019-02-05 CN disclosed
CN-108135782-A Dental composition 登特斯普伊德特雷有限公司 2018-06-08 CN disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
CN-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 CN disclosed
US-7884216-B2 Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-02-08 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
CN-101146530-A 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG (CH) 2008-03-19 CN disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
EP-0555628-B1 Process for preparing isocyanates NIPPON CATALYTIC CHEM IND (JP) 1996-05-29 EP disclosed
US-5326903-A Thermal decomposition of carbamate NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0555628-A2 Process for preparing isocyanates NIPPON SHOKUBAI CO., LTD. (JP) 1993-08-18 EP disclosed
EP-0066922-B1 PROCESS FOR PREPARING ASYMMETRIC UREAS FROM URETHANS AND AMINES ANIC S.p.A. (IT) 1985-10-23 EP disclosed
EP-0066922-A1 Process for preparing asymmetric ureas from urethans and amines ANIC S.p.A. (IT) 1982-12-15 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-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS L3MBTL1 4698/4885MEN1 638/4885KMT2A 1533/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 L3MBTL1 4049/4885MEN1 2367/4885KMT2A 1423/4885

“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.