SCHEMBL1580134

SCHEMBL1580134

COC1CCCCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9049342 0.98 MEN1 (0.37) MEN1KMT2A
SCHEMBL6304702 0.94
SCHEMBL3590384 0.79 MEN1 (0.35) MEN1KMT2A
SCHEMBL11478949 0.77 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL27267112 0.73 CHRM2 (0.37) MEN1KMT2A
SCHEMBL14230806 0.72
SCHEMBL11477914 0.72 ALDH1A1 (0.31)
SCHEMBL12224195 0.71
SCHEMBL11566720 0.71
SCHEMBL2111705 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642802-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2310349-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-04-24 EP disclosed
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-12-27 US disclosed
US-8329939-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-05-24 US disclosed
EP-2310349-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
WO-2009147068-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-10 WO disclosed
US-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-10 US disclosed
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
US-4404082-A Bipolar electrode for anodic processes in undivided cells HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-13 US disclosed
EP-0006177-A1 Bipolar electrode for electrochemical oxidation in diaphragmless cells and its utilisation HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-09 EP disclosed
US-4149941-A ELECTROLYTIC ALKOXYLATION HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed
US-4123434-A Process for preparing trimeric Δ1 -piperideins and trimeric 1-pyrroline HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-31 US disclosed
US-4118500-A Fungicidal alkoxy mono- and dialkoxy N-substituted cyclic amines HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 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 (3 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-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, CYP3A5, GABRA5 MEN1 2937/4885KMT2A 887/4885
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 MEN1 2863/4885KMT2A 904/4885
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 MEN1 2863/4885KMT2A 904/4885

“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.