SCHEMBL9011671

SCHEMBL9011671

Cc1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
ELANE P08246 9/20 0.53
MAPT P10636 2/20 0.49
ACHE P22303 1/20 0.48
ALOX5 P09917 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
BCHE P06276 1/20 0.47
MEN1 O00255 1/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL10559530 0.84 LMNA (0.62) LMNAMAPTACHEALOX5POLB
SCHEMBL18791204 0.83 CYP3A4 (0.67) ELANEPOLBCYP3A4
SCHEMBL15495839 0.83 LMNA (0.57) LMNAMAPTACHEALOX5POLB
SCHEMBL819332 0.80 LMNA (0.74) LMNAMAPTACHEALOX5POLB
SCHEMBL17585017 0.80 ELANE (0.55) ELANEMAPTALDH1A1MEN1KMT2A
SCHEMBL7922562 0.80 LMNA (0.74) LMNAMAPTACHEALOX5POLB
SCHEMBL29418226 0.80 LMNA (0.74) LMNAMAPTACHEALOX5POLB
SCHEMBL6024449 0.80 CYP1A2 (0.53) LMNAELANEMAPTALDH1A1KMT2A
SCHEMBL21281787 0.80 ELANE (0.52) ELANECYP3A4
SCHEMBL10457691 0.80 ELANE (0.56) ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680074-B2 Compounds, functionalised dioxaborolane or dioxaborinane derivatives, method for preparing same and uses thereof ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2023-06-20 US disclosed
US-11680074-B2 Compounds, functionalised dioxaborolane or dioxaborinane derivatives, method for preparing same and uses thereof ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2023-06-20 US disclosed
EP-3464300-B1 NOVEL COMPOUNDS, FUNCTIONALISED DIOXABOROLANE OR DIOXABORINANE DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF ECOLE SUPERIEURE DE PHYSIQUE ET CHIMIE IND DE LA VILLE DE PARIS (FR) 2021-12-01 EP disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-20150266834-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-09-24 US disclosed
EP-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 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-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC LMNA 4621/4885ELANE 1846/4885MAPT 4289/4885
US-11680074-B2 Compounds, functionalised dioxaborolane or dioxaborinane derivatives, method for preparing same and uses thereof RDX, XDH, NOX4 LMNA 1743/4885ELANE 2138/4885MAPT 4464/4885
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA LMNA 823/4885ELANE 3376/4885MAPT 2813/4885
US-20150266834-A1 TRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGIS, PTGS1, PTGES LMNA 3580/4885ELANE 3094/4885MAPT 124/4885
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA LMNA 2754/4885ELANE 2521/4885MAPT 1913/4885

“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.