Hexane

Hexane

SCHEMBL96799

CCCCCC.CCOC(C)=O.CCOCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 3/20 0.54
FAAH O00519 3/20 0.46
CES2 O00748 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CES1 P23141 1/20 0.39
SOAT1 P35610 1/20 0.39

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 SCHEMBL438349 0.96 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL57827 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL1016091 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL6566880 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL4114183 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL94686 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL547747 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL6720430 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL4897173 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH
Hexane SCHEMBL301207 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 EP disclosed
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
EP-3475268-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2019-05-01 EP disclosed
EP-3116849-B1 COMPOUNDS WITH A COMBINED ANTIOXIDANT ACTIVITY AGAINST FREE RADICALS TOGETHER WITH AN ANTI-INFLAMMATORY ACTION, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF SKIN AND HAIR GIULIANI SPA (IT) 2018-07-25 EP disclosed
WO-2017220799-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2017-12-28 WO disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-0428094-B1 Mevinic acid derivatives SQUIBB & SONS INC (US) 1995-10-18 EP disclosed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5114960-A Rheumatoid arthritis; antiinflammatory and antishock agents; gastrointestinal and respiratory system disorders HOFFMANN-LA ROCHE INC. (US) 1992-05-19 US disclosed
EP-0409273-A2 Substituted isoxazole and isothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 US disclosed
EP-0098951-A2 Aminobenzamide derivatives and preparation thereof STERLING DRUG INC. (US) 1984-01-25 EP disclosed
US-4110341-A Dithio prostaglandin derivatives ONO PHARMACEUTICAL COMPANY (JP) 1978-08-29 US disclosed
US-4052512-A MENSTRUAL REGULATION ONO PHARMACEUTICAL CO., LTD. (JA) 1977-10-04 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 (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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885LMNA 4163/4885HSD17B10 1478/4885
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E ALDH1A1 1612/4885LMNA 4173/4885HSD17B10 3403/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E ALDH1A1 1612/4885LMNA 4173/4885HSD17B10 3403/4885

“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.