Hexane

Hexane

SCHEMBL1664733

CC1CCCO1.CCCCCC

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 4/20 0.38
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32

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 SCHEMBL241041 0.98 EPHX1 (0.48) EPHX1ALDH1A1EBPSIGMAR1TDP1
1-Pentanol SCHEMBL28201262 0.90 SMN1; SMN2 (0.46) EPHX1ALDH1A1SMN1; SMN2RAB9AHSD17B10
1-Hexanol SCHEMBL28200638 0.88 ALDH1A1 (0.48) EPHX1ALDH1A1EBPSIGMAR1TDP1
Propane SCHEMBL29260697 0.87
SCHEMBL28596158 0.87 EPHX1 (0.35) EPHX1ALDH1A1CYP1A2SMN1; SMN2RAB9A
Butyl Alcohol SCHEMBL28856285 0.87 ALDH1A1 (0.44) EPHX1ALDH1A1SMN1; SMN2RAB9AHSD17B10
Bromide SCHEMBL28886830 0.86 EPHX1 (0.34) EPHX1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL2473867 0.84 NOS2 (0.35)
SCHEMBL10067 0.84
SCHEMBL31673148 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141155-A2 DISTILLERS MEAL WITH REDUCED MYCOTOXIN LEVELS AND METHODS OF REDUCING MYCOTOXIN CONTAMINATION NOVITA NUTRITION, LLC (US) 2023-07-27 WO disclosed
US-8987377-B2 Poly(amide) polymers for the delivery of oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
CN-102731542-B Preparation method of p-bromophenyl-boric acid TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2015-03-11 CN disclosed
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-20130253135-A1 POLY(AMIDE) POLYMERS FOR THE DELIVERY OF OLIGONUCLEOTIDES BANK OF AMERICA, N.A. 2013-09-26 US disclosed
EP-2640400-A1 POLY(AMIDE) POLYMERS FOR THE DELIVERY OF OLIGONUCLEOTIDES Merck Sharp & Dohme Corp. (US) 2013-09-25 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
CN-102731542-A Preparation method of p-bromophenyl-boric acid TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2012-10-17 CN disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2012068187-A1 POLY(AMIDE) POLYMERS FOR THE DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2012-05-24 WO disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 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-20130253135-A1 POLY(AMIDE) POLYMERS FOR THE DELIVERY OF OLIGONUCLEOTIDES PUF60, POLI, PARG EPHX1 4721/4885ALDH1A1 4314/4885EBP 2208/4885
US-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 EPHX1 3277/4885ALDH1A1 2866/4885EBP 1598/4885

“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.