SCHEMBL1787452

SCHEMBL1787452

CC(=O)Oc1cccc(CC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
LMNA P02545 1/20 0.54
ACHE P22303 9/20 0.50
TAAR1 Q96RJ0 2/20 0.47
PARP1 P09874 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.43
BCHE P06276 2/20 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
SCHEMBL694664 0.89 TAAR1 (0.63) CYP3A4LMNAACHETAAR1PARP1
SCHEMBL694663 0.89 TAAR1 (0.63) CYP3A4LMNAACHETAAR1PARP1
SCHEMBL810922 0.84 ACHE (0.55) ACHETAAR1MAOAMAOBMEN1
SCHEMBL9638163 0.83 ACHE (0.50) CYP3A4LMNAACHEPARP1BCHE
SCHEMBL3156480 0.83 SLC7A5 (0.59) CYP3A4LMNA
SCHEMBL5018939 0.82 TAAR1 (0.53) ACHETAAR1MEN1KMT2A
SCHEMBL28554715 0.81 ALOX15 (0.54) ACHETAAR1MAOAMAOBKMT2A
SCHEMBL4483616 0.81 CYP3A4 (0.49) CYP3A4LMNAACHETAAR1PARP1
SCHEMBL11280341 0.81 CYP3A4 (0.49) CYP3A4LMNAACHETAAR1PARP1
SCHEMBL2869059 0.81 PPARG (0.46) CYP3A4LMNAACHEPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220040193-A1 FORMULATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITORS BRIDGEBIO GENE THERAPY RESEARCH, INC. 2022-02-10 US disclosed
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
CN-105762402-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery 三菱化学株式会社 2016-07-13 CN disclosed
CN-103078137-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORP. (JP) 2015-09-16 CN disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
CN-104600360-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP 2015-05-06 CN disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
CN-103078137-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2013-05-01 CN disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
CN-101960662-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery MITSUBISHI CHEM CORP 2011-01-26 CN disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed
CN-1087337-A The quinolin-2-ylmethoxy phenylacetic acid derivatives that replaces BAYER AG (DE) 1994-06-01 CN 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR CYP3A4 1342/4885LMNA 3089/4885ACHE 2272/4885
US-20220040193-A1 FORMULATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3R1, PIK3C3, PIK3R2 CYP3A4 4161/4885LMNA 1412/4885ACHE 4074/4885

“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.