Hexane

Hexane

SCHEMBL25882

CCCCCC.CCOC(=O)CCO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
DGKA P23743 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
PAM P19021 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PRKCA P17252 1/20 0.44
PRKCE Q02156 1/20 0.44

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 SCHEMBL7946812 1.00 MGAM (0.54) MGAMGAASIMGAM2DGKA
Hexane SCHEMBL8710112 0.98 MGAM (0.52) MGAMGAASIMGAM2DGKA
Heptane SCHEMBL200855 0.98 DGKA (0.57) MGAMGAASIMGAM2DGKA
Tetradecane SCHEMBL9947966 0.98 DGKA (0.57) MGAMGAASIMGAM2DGKA
Pentane SCHEMBL4415680 0.95 GAA (0.54) MGAMGAASIMGAM2DGKA
Hexane SCHEMBL16566680 0.94 DGKA (0.48) MGAMGAASIMGAM2DGKA
SCHEMBL936467 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL5329217 0.92 ALDH1A1 (0.54) MGAMGAASIMGAM2DGKA
Hexane SCHEMBL2346139 0.92 ALDH1A1 (0.54) MGAMGAASIMGAM2DGKA
SCHEMBL6403 0.91

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 1413 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989185-B Extraction and preparation method of stephanine 四川健腾药业有限公司 2024-04-26 CN claimed
CN-117915920-A Use of terpenoids in the treatment or prevention of fibrotic diseases 吉亚生技控股股份有限公司 2024-04-19 CN claimed
CN-116744953-A Use of terpenoids in the treatment or prevention of fibrotic diseases 吉亚生技控股股份有限公司 2023-09-12 CN claimed
CN-116600822-A Use of terpenoids in the treatment or prevention of fibrotic diseases 吉亚生技控股股份有限公司 2023-08-15 CN claimed
US-20230201221-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Arjil Biotech Holding Company Limited (TW) 2023-06-29 US claimed
US-20230190850-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Arjil Biotech Holding Company Limited (TW) 2023-06-22 US claimed
CN-116068119-A Detection method of kidney-tonifying essence-replenishing oral liquid 九芝堂股份有限公司 2023-05-05 CN claimed
US-20230041859-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Arjil Biotech Holding Company Limited (TW) 2023-02-09 US claimed
CN-111122735-B Ligusticum wallichii medicine quality detection method 贵州景峰注射剂有限公司 2022-12-27 CN claimed
CN-112684093-B Quality detection method of eleven-prescription medicinal liquor 广西中医药大学 2022-11-25 CN claimed
CN-101168009-B Quality control method of macaque stone bovinebezoar powder GUANGZHOU QIXING PHARMACY GROUP CO LTD 2010-10-06 CN claimed
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-08-19 US claimed
CN-101805352-A Method for preparing eriocalyxin B KUNMING INST BOTANY CN ACAD 2010-08-18 CN claimed
CN-101584809-A Medicine for treating cold-type yellow water disease and preparation and detection methods thereof GANSU QIZHENG TIBETAN MEDICINE (CN) 2009-11-25 CN claimed
CN-101168009-A Quality control method of macaque stone bovinebezoar powder GUANGZHOU QIXING PHARMACY GROU (CN) 2008-04-30 CN claimed
CN-1325098-C Traditional Chinese medicine composition for improving immunity and preparation method and quality control method thereof WANG WEIMING (CN) 2007-07-11 CN claimed
US-7119213-B2 Pharmacologically active isolated or purified dauer pheromone compound for controlling aging and stress and method for isolating and characterizing the same Kim, Jong Mun (KR) 2006-10-10 US claimed
CN-1788775-A Traditional Chinese medicine composition for improving immunity and preparation method and quality control method thereof WANG WEIMING (CN) 2006-06-21 CN claimed
CN-1247992-C Method for drafting traditional Chinese medicinal spectrum by employing high-speed reverse-flow chromatogram INST PROCESS ENG CAS (CN) 2006-03-29 CN claimed
CN-1566942-A Method for drafting traditional Chinese medicinal spectrum by employing high-speed reverse-flow chromatogram INST PROCESS ENG CAS (CN) 2005-01-19 CN claimed

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-20230201221-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, SMAD3, COL1A1 MGAM 2732/4885GAA 516/4885SI 1099/4885
US-20230041859-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, SMAD3, COL1A1 MGAM 2732/4885GAA 516/4885SI 1099/4885
US-20100210869-A1 ETHANOL EXTRACT OF ANTRODIA CAMPHORATA FOR INDUCING APOPTOSIS AND PREPARATION METHOD THEREOF BAX, API5, BCL2 MGAM 3379/4885GAA 1854/4885SI 118/4885
US-20230190850-A1 USE OF TERPENOIDS IN THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 MGAM 3051/4885GAA 516/4885SI 1316/4885

“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.