Hexane

Hexane

SCHEMBL57827

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
LMNA P02545 1/20 0.78
HSD17B10 Q99714 1/20 0.78
FAAH O00519 3/20 0.50
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
CES2 O00748 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CES1 P23141 1/20 0.43
SOAT1 P35610 1/20 0.43

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 SCHEMBL10002813 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL318366 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL15769141 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL514605 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL301207 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL637278 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4960168 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL94686 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6720430 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4897173 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR

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 1016 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239778-A1 GRISEOFULVIN COMPOUND AND PHARMACEUTICAL USE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-07-18 US disclosed
EP-3634966-B1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 NAT UNIV SINGAPORE (SG) 2024-06-05 EP disclosed
US-11993593-B2 Griseofulvin compound and pharmaceutical use thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-05-28 US disclosed
WO-2024107076-A1 PROCATALYST FOR OLEFIN POLYMERIZATION, METHOD FOR PREPARATION THEREOF PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (PJSC "SIBUR HOLDING") (RU) 2024-05-23 WO disclosed
WO-2024107086-A1 PROCATALYST FOR OLEFIN POLYMERIZATION AND USE THEREOF PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (PJSC "SIBUR HOLDING") (RU) 2024-05-23 WO disclosed
CN-118047768-A Oligostat analogue and antiviral application thereof 华中农业大学 2024-05-17 CN disclosed
US-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound TOKUYAMA CORPORATION (JP) 2024-04-02 US disclosed
CN-112368284-B Electrochromic compound, electrochromic composition and electrochromic element 株式会社理光 2024-03-08 CN disclosed
US-11859131-B2 Electrochromic compound, electrochromic composition, and electrochromic element RICOH COMPANY, LTD. (JP) 2024-01-02 US disclosed
CN-112218868-B Triazolinedione adducts, process for producing the same, process for producing alkylene compounds, and analytical method 株式会社德山 2023-12-08 CN disclosed
US-4737513-A PESTICIDES ROUSSEL UCLAF (FR) 1988-04-12 US disclosed
US-4701449-A Novel 10-substituted steroids and their use in the induction of aldosterone antagonistic activity ROUSSEL UCLAF (FR) 1987-10-20 US disclosed
CN-86106242-A 2-sulphomethyl-replacement-1,4-dihydropyridine, its manufacture method and the pharmaceutical composition that contains these compounds 1987-05-13 CN disclosed
US-4628120-A REARRANGEMENTS USING ORGANOALUMINUM COMPOUNDS TOYO STAUFFER CHEMICAL CO., LTD. (JP) 1986-12-09 US disclosed
EP-0122779-B1 PRODUCTION OF OPTICALLY ACTIVE CYCLOPENTENOLONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-23 EP disclosed
US-4552703-A Production of optically active cyclopentenolones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-12 US disclosed
US-4540698-A CONTROL OF PLANT DISEASES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1985-09-10 US disclosed
EP-0122779-A1 Production of optically active cyclopentenolones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-24 EP disclosed
US-4374979-A Regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1983-02-22 US disclosed
EP-0063945-A1 Process for the regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS (US) 1982-11-03 EP 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 (3 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-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound NR2E1, AR, NR5A2 ALDH1A1 219/4885LMNA 3288/4885HSD17B10 266/4885
US-20240239778-A1 GRISEOFULVIN COMPOUND AND PHARMACEUTICAL USE THEREOF ACBD3, NR3C1, GRN ALDH1A1 1113/4885LMNA 3783/4885HSD17B10 199/4885
US-11993593-B2 Griseofulvin compound and pharmaceutical use thereof ACBD3, GRN, C1S ALDH1A1 1136/4885LMNA 3831/4885HSD17B10 195/4885

“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.