Hexane

Hexane

SCHEMBL2937805

CCC(C)=O.CCCCCC

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
CES2 O00748 9/20 0.53
CES1 P23141 4/20 0.53
AKR1B1 P15121 1/20 0.50
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
GPR84 Q9NQS5 4/20 0.48
TLR2 O60603 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48

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
Octane SCHEMBL5026156 0.97 ALDH1A1 (0.67) ALDH1A1TDP1CES2CES1PPARG
Heptane SCHEMBL1420888 0.97 ALDH1A1 (0.67) ALDH1A1TDP1CES2CES1PPARG
Hexane SCHEMBL28612680 0.94 ALDH1A1 (0.62) ALDH1A1TDP1CES2CES1AKR1B1
Butanone SCHEMBL20299575 0.93 ALDH1A1 (0.71) ALDH1A1TDP1CES2CES1AKR1B1
Hexane SCHEMBL8397988 0.88 ALDH1A1 (0.56) ALDH1A1TDP1CES2CES1GPR84
Butanone SCHEMBL11031490 0.88 CES2 (0.57) ALDH1A1TDP1CES2CES1AKR1B1
1-Pentanol SCHEMBL3227511 0.88 SMN1; SMN2 (0.67) ALDH1A1TDP1CES2CES1AKR1B1
Butanone SCHEMBL11812300 0.87 ALDH1A1 (0.62) ALDH1A1TDP1CES2CES1AKR1B1
Butanone SCHEMBL29197456 0.86 CES2 (0.59) ALDH1A1TDP1CES2CES1PPARG
1-Hexanol SCHEMBL11256968 0.86 ALDH1A1 (0.68) ALDH1A1TDP1CES2CES1PPARG

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958798-B2 Process for the preparation of iloprost EUROAPI HUNGARY LIMITED LIABILITY COMPANY (HU) 2024-04-16 US disclosed
EP-4192839-A1 REMDESIVIR INTERMEDIATES Richter Gedeon Nyrt. (HU) 2023-06-14 EP disclosed
US-20230115500-A1 PROCESS FOR THE PREPARATION OF ILOPROST CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2023-04-13 US disclosed
US-11535580-B2 Process for the preparation of iloprost CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2022-12-27 US disclosed
CN-113233948-B Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification 青岛科技大学 2022-04-08 CN disclosed
WO-2021220196-A1 ADHESIVE COMPOSITION, ADHESIVE FILM, PREPARATION METHOD THEREOF AND ADHESIVE TAPE COMPRISING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-11-04 WO disclosed
CN-113233948-A Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification 青岛科技大学 2021-08-10 CN disclosed
US-20210147329-A1 PROCESS FOR THE PREPARATION OF ILOPROST CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2021-05-20 US disclosed
CN-112513111-A Adhesive composition, adhesive film, laminate and method for producing the same 3M创新有限公司 2021-03-16 CN disclosed
WO-2021019359-A1 ADHESIVE COMPOSITION, ADHESIVE FILM, LAMINATE AND PREPARATION METHOD THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-02-04 WO disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 US disclosed
US-4867915-A LIPOXYGENASE INHIBITORS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-09-19 US disclosed
US-4743683-A FOR DYE BLEACH PROCESS, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1988-05-10 US disclosed
US-4661437-A COLORFASTNESS CIBA-GEIGY AG (CH) 1987-04-28 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
US-4510142-A ANTIINFLAMMATORY OR ANALGESIC AGNET PIERRE FABRE S.A. (FR) 1985-04-09 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 EP disclosed
US-4343647-A Substituted benzyltrialkylammonium salts and their use as plant growth regulatory control agents THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed
US-4172854-A MAGNESIUM CHROMITE PETRO-TEX CHEMICAL CORPORATION (US) 1979-10-30 US disclosed
US-4055672-A Controlled atmosphere package STANDARD PACKAGING CORPORATION (US) 1977-10-25 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-20210147329-A1 PROCESS FOR THE PREPARATION OF ILOPROST PTGIS, PTGER1, PTGIR ALDH1A1 1368/4885TDP1 4712/4885CES2 4392/4885
US-20230115500-A1 PROCESS FOR THE PREPARATION OF ILOPROST PTGIS, PTGER1, PTGIR ALDH1A1 1368/4885TDP1 4712/4885CES2 4392/4885
US-11535580-B2 Process for the preparation of iloprost PTGIS, PTGER1, PTGIR ALDH1A1 1368/4885TDP1 4712/4885CES2 4392/4885
US-11958798-B2 Process for the preparation of iloprost PTGIS, PTGER1, PTGIR ALDH1A1 1368/4885TDP1 4712/4885CES2 4392/4885

“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.