Heptane

Heptane

SCHEMBL1591794

CCCCCCC.CCOC(=O)CC(Cl)Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PAM P19021 2/20 0.40
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40

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 SCHEMBL1234791 0.98 MGAM (0.44) NAAADGKAMGAMGAASI
Hexane SCHEMBL9545643 0.92 MGAM (0.40) NAAADGKAMGAMGAASI
Hexane SCHEMBL8222570 0.91 MGAM (0.39) NAAADGKAMGAMGAASI
SCHEMBL8677 0.89
Methyl Alcohol SCHEMBL275175 0.87 GAA (0.50) MGAMGAASIMGAM2LMNA
Ammonia Solution, Strong SCHEMBL3775021 0.87 GAA (0.50) MGAMGAASIMGAM2LMNA
SCHEMBL7319778 0.86 NAAA (0.62) NAAADGKAMAPTLMNAL3MBTL1
Alcohol SCHEMBL4242917 0.85 GAA (0.48) MGAMGAASIMGAM2LMNA
Acetone SCHEMBL7006638 0.85 GAA (0.48) MGAMGAASIMGAM2LMNA
Methylene Chloride SCHEMBL3731960 0.85 GAA (0.48) MGAMGAASIMGAM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
EP-1896444-A2 IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4 , 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES MARS, INCORPORATED (US) 2008-03-12 EP disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
WO-2007005248-A2 IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4β, 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES MARS, INCORPORATED (US) 2007-01-11 WO disclosed
US-20070004796-A1 Processes for the preparation of protected-(+)-catechin and (-)-epicatechin monomers, for coupling the protected monomers with an activated, protected epicatechin monomer, and for the preparation of epicatechin-(4B,8)-epicatechin or -catechin dimers and their digallates MARS, INC. 2007-01-04 US disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
EP-1113329-A1 Photographic element, compound, and process EASTMAN KODAK COMPANY (US) 2001-07-04 EP disclosed
US-6207363-B1 CYAN ?NB COUPLER? EASTMAN KODAK COMPANY 2001-03-27 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 (4 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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 NAAA 795/4885DGKA 4172/4885MGAM 2345/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 NAAA 795/4885DGKA 4172/4885MGAM 2345/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 NAAA 795/4885DGKA 4172/4885MGAM 2345/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 NAAA 795/4885DGKA 4172/4885MGAM 2345/4885

“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.