Hexane

Hexane

SCHEMBL1752606

CCCCCC.CCOC(=O)CCCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
CYP1A2 P05177 1/20 0.55
PAM P19021 2/20 0.55
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.50
DNM1 Q05193 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Decanol SCHEMBL11043200 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Decanol SCHEMBL10945703 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Dodecanol SCHEMBL29212179 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL5393961 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
SCHEMBL29017540 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Cetyl Alcohol SCHEMBL27937278 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Heptane SCHEMBL1238729 0.98 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
1-Hexanol SCHEMBL1863211 0.94 DGKA (0.59) DGKACYP1A2PAMLMNAKDM4E
Butyl Alcohol SCHEMBL11099381 0.94 DGKA (0.59) DGKACYP1A2PAMLMNAKDM4E
Ethylene Glycol SCHEMBL4292535 0.94 DGKA (0.63) DGKACYP1A2PAMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2018-02-15 US disclosed
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2015-03-12 US disclosed
US-8841425-B2 Cytotoxic agents comprising new maytansinoids IMMUNOGEN, INC. (US) 2014-09-23 US disclosed
US-8435528-B2 Cytotoxic agents comprising new maytansinoids IMMUNOGEN, INC. (US) 2013-05-07 US disclosed
EP-2363390-A1 DERIVED LACTAM FROM D3 VITAMIN Teijin Pharma Limited (JP) 2011-09-07 EP disclosed
US-20110207944-A1 VITAMIN D3 LACTAM DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2011-08-25 US disclosed
US-20110158991-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC. (US) 2011-06-30 US disclosed
US-7851432-B2 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents IMMUNOGEN INC. (US) 2010-12-14 US disclosed
EP-1838715-B1 METHOD FOR THE PREPARATION OF MAYTANSINOID ESTERS IMMUNOGEN INC (US) 2010-10-27 EP disclosed
WO-2009080200-A1 NOVEL SULPHOXIMIDE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. IMMUNOGEN, INC. (US) 2007-11-22 US disclosed
US-20070269447-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN, INC. (US) 2007-11-22 US disclosed
US-20070264266-A1 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents IMMUNOGEN INC. (US) 2007-11-15 US disclosed
US-7276497-B2 For therapy of tumors IMMUNOGEN INC. 2007-10-02 US disclosed
US-20060167245-A1 Method for the preparation of maytansinoid esters IMMUNOGEN, INC. 2006-07-27 US disclosed
US-20040235840-A1 For therapy of tumors IMMUNOGEN, INC. 2004-11-25 US disclosed
WO-1997042169-A2 BENZOPHENONE HYDRAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-13 WO disclosed
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP disclosed
US-5491236-A NERVOUS SYTEM DISORDERS THE UPJOHN COMPANY (US) 1996-02-13 US disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 WO 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 (9 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-20070264266-A1 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents SPR, SDAD1, ARRB1 DGKA 3553/4885CYP1A2 3053/4885PAM 642/4885
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. AASDHPPT, AADAT, SLC6A15 DGKA 2293/4885CYP1A2 3419/4885PAM 113/4885
US-20060167245-A1 Method for the preparation of maytansinoid esters PTMS, CYP4A11, CYP11B1 DGKA 1960/4885CYP1A2 280/4885PAM 394/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS DGKA 2759/4885CYP1A2 4418/4885PAM 524/4885
US-20070269447-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS SPR, HCCS, TXNRD1 DGKA 3294/4885CYP1A2 3498/4885PAM 819/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 DGKA 2232/4885CYP1A2 3253/4885PAM 614/4885
US-20110158991-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS SPR, HCCS, TXNRD1 DGKA 3294/4885CYP1A2 3498/4885PAM 819/4885
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 DGKA 2232/4885CYP1A2 3253/4885PAM 614/4885
US-20110207944-A1 VITAMIN D3 LACTAM DERIVATIVE VDR, CYP24A1, CYP2R1 DGKA 2655/4885CYP1A2 327/4885PAM 3167/4885

“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.