Heptane

Heptane

SCHEMBL2836497

CC#N.CC(C)O.CCCCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.50
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.44
LMNA P02545 4/20 0.41
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 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 SCHEMBL1889283 0.97 TSHR (0.48) SPHK1TSHRTHRBLMNACYP2D6
Heptane SCHEMBL7200232 0.89 SPHK1 (0.42) SPHK1TSHRMAPTGPR84FFAR1
Heptane SCHEMBL1399518 0.88 TSHR (0.57) SPHK1TSHRTHRBLMNAALDH1A1
Hexane SCHEMBL7047481 0.85 GPR84 (0.43) TSHRALDH1A1HSD17B10MEN1KMT2A
Decane SCHEMBL11321882 0.85 TSHR (0.61) SPHK1TSHRTHRBLMNAALDH1A1
Heptane SCHEMBL6217 0.85 TSHR (0.61) SPHK1TSHRTHRBLMNAALDH1A1
Nonane SCHEMBL3803426 0.85 TSHR (0.61) TSHRTHRBLMNAALDH1A1HSD17B10
Heptane SCHEMBL11839960 0.85 TSHR (0.61) TSHRTHRBLMNAALDH1A1HSD17B10
Heptane SCHEMBL9263200 0.85 TSHR (0.61) SPHK1TSHRTHRBLMNAALDH1A1
Heptane SCHEMBL730699 0.85 TSHR (0.61) TSHRTHRBLMNAALDH1A1HSD17B10

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
EP-3116854-B1 NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) 2022-01-26 EP disclosed
US-10000601-B2 Metathesized triacylglycerol polyols for use in polyurethane applications and their related properties TRENT UNIVERSITY (CA) 2018-06-19 US disclosed
US-10000724-B2 Metathesized triacylglycerol green polyols from palm oil for use in polyurethane applications and their related properties TRENT UNIVERSITY (CA) 2018-06-19 US disclosed
US-9777245-B2 Methods of fractionating metathesized triacylglycerol polyols and uses thereof TRENT UNIVERSITY (CA) 2017-10-03 US disclosed
US-20170037002-A1 NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-02-09 US disclosed
EP-3116854-A1 NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS CHINOIN GYÓGYSZER ES VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 2017-01-18 EP disclosed
US-20160312151-A1 Methods of Fractionating Metathesized Triacylglycerol Polyols and Uses Thereof TRENT UNIVERSITY (CA) 2016-10-27 US disclosed
US-20150337073-A1 METATHESIZED TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PROPERTIES TRENT UNIVERSITY (CA) 2015-11-26 US disclosed
WO-2015136317-A1 NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2015-09-17 WO disclosed
EP-2208724-B1 Process for purification of latanoprost, synthetic analogue of prostaglandin PGF 2alfa IND CHIMICA SRL (IT) 2011-12-07 EP disclosed
EP-2208724-A1 Process for purification of latanoprost, synthetic analogue of prostaglandin PGF 2alfa INDUSTRIALE CHIMICA S.r.l. (IT) 2010-07-21 EP disclosed
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-7498458-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2009-03-03 US disclosed
US-7268239-B2 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2007-09-11 US disclosed
US-20050272877-A1 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2005-12-08 US disclosed
US-20050261374-A1 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED 2005-11-24 US disclosed
US-20040249172-A1 Process for the preparationof prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2004-12-09 US disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP disclosed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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 (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-20170037002-A1 NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS PTGES3, PTGER3, PTGES SPHK1 1009/4885TSHR 2693/4885THRB 4226/4885
US-20150337073-A1 METATHESIZED TRIACYLGLYCEROL POLYOLS FOR USE IN POLYURETHANE APPLICATIONS AND THEIR RELATED PROPERTIES MGLL, PNLIP, DAGLA SPHK1 329/4885TSHR 4576/4885THRB 3279/4885
US-20040249172-A1 Process for the preparationof prostaglandins and analogues thereof PTGIS, PTGES, PTGES2 SPHK1 680/4885TSHR 3394/4885THRB 4144/4885
US-20050261374-A1 Process for the preparation of prostaglandins and analogues thereof PTGIS, PTGES, PTGES2 SPHK1 614/4885TSHR 3002/4885THRB 3550/4885
US-10000601-B2 Metathesized triacylglycerol polyols for use in polyurethane applications and their related properties MGLL, PNLIP, DAGLA SPHK1 329/4885TSHR 4576/4885THRB 3279/4885

“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.