SCHEMBL423846

SCHEMBL423846

CC(C)CC[CH]CCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.31
PTPN1 P18031 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL28868791 0.94 LMNA (0.45) LMNAKDM1APTPN1MEN1CYP3A4
SCHEMBL6990184 0.92 LMNA (0.46) LMNA
SCHEMBL971387 0.88 LMNA (0.48) LMNAKDM1APTPN1MEN1CYP3A4
SCHEMBL7995031 0.87 LMNA (0.35) LMNA
SCHEMBL286602 0.86 LMNA (0.46) LMNA
SCHEMBL1164744 0.83 LMNA (0.38) LMNA
SCHEMBL9132313 0.83 TSHR (0.38) LMNA
SCHEMBL2999056 0.83 TSHR (0.38) LMNA
SCHEMBL9366046 0.83 LMNA (0.39) LMNA
SCHEMBL7067432 0.82 LMNA (0.48) LMNAKDM1APTPN1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942348-B1 Thiol-protected amino acid derivatives and uses thereof Johannes Gutenberg-Universität Mainz (DE) 2017-10-25 EP claimed
US-9882245-B2 Alkoxide-based magnesium electrolyte compositions for magnesium batteries UT-BATTELLE, LLC (US) 2018-01-30 US disclosed
US-20160024421-A1 IONIC LIQUIDS CONTAINING QUATERNARY PHOSPHONIUM CATIONS AND CARBOXYLATE ANIONS, AND THEIR USE AS LUBRICANT ADDITIVES U.S. DEPARTMENT OF ENERGY 2016-01-28 US disclosed
US-9149479-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-06 US disclosed
US-20150056499-A1 ALKOXIDE-BASED MAGNESIUM ELECTROLYTE COMPOSITIONS FOR MAGNESIUM BATTERIES U.S. DEPARTMENT OF ENERGY 2015-02-26 US disclosed
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making THE UNIVERSITY OF TOLEDO (US) 2015-01-22 US disclosed
US-8557991-B2 Process for preparing enantiomerically pure indolopyridines 4SC AG (DE) 2013-10-15 US disclosed
US-8288399-B2 Medicine containing pyrimidine derivative BTG INTERNATIONAL LIMITED (GB) 2012-10-16 US disclosed
EP-2420489-A1 Indolesulfonyl protecting groups for protection of guanidino and amino groups Lonza Ltd (CH) 2012-02-22 EP disclosed
US-20120018676-A1 Novel Tricyanoborates LONZA LTD. (CH) 2012-01-26 US disclosed
WO-1999057118-A1 NOVEL N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 WO disclosed
WO-1999057115-A1 NOVEL BENZIMIDAZOLES AND BENZOXAZOLES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-11-11 WO disclosed
US-5786488-A DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT SUGEN, INC. (US) 1998-07-28 US disclosed
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0228959-B1 AMINOSTYRYL COMPOUND, LEUKOTRIENE ANTAGONISTIC COMPOSITION CONTAINING THE SAME AS EFFECTIVE INGREDIENTS AND METHOD OF ANTAGONIZING SRS BY EMPLOYING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1992-03-18 EP disclosed
US-4749701-A Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-06-07 US disclosed
EP-0228959-A2 Aminostyryl compound, leukotriene antagonistic composition containing the same as effective ingredients and method of antagonizing SRS by employing the same MITSUBISHI KASEI CORPORATION (JP) 1987-07-15 EP disclosed
US-4338315-A RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4288361-A ANTIOXIDANTS FOR POLYMERS CARSTAB CORPORATION (US) 1981-09-08 US disclosed
US-4205176-A ANTIOXIDANTS CINCINNATI MILACRON CHEMICALS INC. (US) 1980-05-27 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 (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-20120018676-A1 Novel Tricyanoborates XRN2, XRCC6, CNOT1 LMNA 734/4885KDM1A 969/4885PTPN1 3760/4885
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making CSGALNACT1, GALNT1, DPAGT1 LMNA 1554/4885KDM1A 397/4885PTPN1 752/4885

“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.