Heptane

Heptane

SCHEMBL3404480

CCCCCCC.CO.ClCCl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
ALDH1A1 P00352 3/20 0.62
THRB P10828 1/20 0.61
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
DNM1 Q05193 5/20 0.44
SLC22A1 O15245 1/20 0.44

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
Heptane SCHEMBL10683139 0.96 TSHR (0.59) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL7995860 0.96 TSHR (0.56) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL7540084 0.96 TSHR (0.56) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL9430852 0.96 TSHR (0.56) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL398717 0.96 TSHR (0.56) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL27549779 0.92 TSHR (0.53) TSHRALDH1A1THRBLMNAMEN1
Hexane SCHEMBL2394206 0.92 TSHR (0.53) TSHRALDH1A1THRBLMNAMEN1
Heptane SCHEMBL219891 0.92 TSHR (0.73) TSHRALDH1A1THRBLMNAMEN1
Heptane SCHEMBL8891016 0.92 TSHR (0.73) TSHRALDH1A1THRBLMNAMEN1
Decane SCHEMBL16931705 0.92 TSHR (0.73) TSHRALDH1A1THRBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102649803-A Preparation process for extracting and separating high-purity Cyasterone SUZHOU BAOZETANG MEDICAL TECH 2012-08-29 CN claimed
CN-102649803-A Preparation process for extracting and separating high-purity Cyasterone SUZHOU BAOZETANG MEDICAL TECH 2012-08-29 CN disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20050143318-A1 Growth hormone secretagogues DODGE JEFFREY A (US) 2005-06-30 US disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-6639076-B1 Such as 2-(2-amino-2-methylpropanoylamino)-n-(1-(2-oxo-1-phenyl-2-pyrrolidinylethyl -4-yl)-4-phenylbutanamide ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-0948483-B1 FARNESYL TRANSFERASE INHIBITORS AVENTIS PHARMA SA (FR) 2002-03-13 EP disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
CN-1242000-A Farnesyl transferase inhibitors RHONE POULENC RORER SA (FR) 2000-01-19 CN disclosed
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 WO disclosed
US-4851441-A Antiviral guanidine derivatives compositions and their methods of use HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1989-07-25 US disclosed
US-4772609-A Antiviral guanidine derivatives and compositions therefor HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1988-09-20 US disclosed
EP-0271571-A1 ANTIVIRAL GUANIDINE DERIVATIVE COMPOSITIONS AND THEIR METHODS OF USE HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1988-06-22 EP disclosed
WO-1988000181-A1 ANTIVIRAL GUANIDINE DERIVATIVE COMPOSITIONS AND THEIR METHODS OF USE HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1988-01-14 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 (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-20050143318-A1 Growth hormone secretagogues GHSR, GHRHR, SSTR3 TSHR 28/4885ALDH1A1 4506/4885THRB 134/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH TSHR 40/4885ALDH1A1 4382/4885THRB 87/4885

“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.