Hexane

Hexane

SCHEMBL2810416

CCCCCC.CCCCCC.CCCCCC(CC(C)=O)CC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GPR84 Q9NQS5 7/20 0.47
CA1 P00915 2/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
CA2 P00918 2/20 0.42
FDPS P14324 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
Hexane SCHEMBL8676368 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
Hexane SCHEMBL4557975 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL9365266 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
Hexane SCHEMBL299439 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL15347870 0.98 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL6274726 0.95 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL17676315 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL5014419 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL13938058 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL17676311 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107641511-A For the preparation method and soil remediation method of the stabilization material for administering soil 中冶华天工程技术有限公司 2018-01-30 CN disclosed
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed
EP-2968445-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF Su, Zhuang (US) 2016-01-20 EP disclosed
US-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-01-22 US disclosed
WO-2014145686-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF SU ZHUANG (US) 2014-09-18 WO disclosed
WO-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO disclosed
CN-1332961-C Inhibitors of alpha L beta 2 mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-08-22 CN disclosed
CN-1651431-A Inhibitors of alpha L beta 2 mediated cell adhesion TANABE SEIYAKU CO (JP) 2005-08-10 CN disclosed
CN-1185232-C Alpha L beta 2-mediated cell adhesion inhibitors TANAKA SEIYAKU CO LTD (JP) 2005-01-19 CN disclosed
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 US disclosed
CN-1382143-A Alpha L beta 2-mediated cell adhesion inhibitors TANAKA SEIYAKU CO LTD (JP) 2002-11-27 CN disclosed
EP-1102582-A2 INHIBITORS OF TYPE 3 3ALPHA-HYDROXYSTEROID DEHYDROGENASE Endorecherche Inc. (CA) 2001-05-30 EP disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
WO-2000007576-A2 INHIBITORS OF TYPE 3 3α-HYDROSTEROID DEHYDROGENASE ENDORECHERCHE, INC. (CA) 2000-02-17 WO disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 WO disclosed
US-5879735-A FAT CONTINUOUS EMULSION FOR FOOD PRODUCTS CHARACTERIZED BY COMBINATION OF LOW SATURATED FATTY ACID CONTENT AND HIGH HARDNESS LODERS-CROKLAAN B.V. (NL) 1999-03-09 US disclosed
EP-0172041-B1 5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-6-CARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING THEM LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1988-08-10 EP disclosed
EP-0172041-A1 5,6-Dihydro-4H-cyclopenta(b)thiophene-6-carboxylic acids, processes for their preparation and therapeutical agents containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1986-02-19 EP 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-20150025120-A1 PYRAZOLE-ALCOHOL COMPOUNDS AND PHARMACEUTICAL USE THEREOF ADH5, ADH1A, CYP3A43 LMNA 4199/4885GPR84 2884/4885CA1 4283/4885
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 LMNA 3211/4885GPR84 3014/4885CA1 1685/4885
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 LMNA 3497/4885GPR84 3935/4885CA1 4107/4885

“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.