Heptane

Heptane

SCHEMBL538473

C1CCOC1.CCCCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.44
EPHX1 P07099 1/20 0.42
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DNM1 Q05193 4/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC22A1 O15245 1/20 0.38

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
Nonane SCHEMBL8960871 1.00 TSHR (0.50) TSHRALDH1A1THRBLMNAEPHX1
Octane SCHEMBL4626385 1.00 TSHR (0.50) TSHRALDH1A1THRBLMNAEPHX1
Heptane SCHEMBL25303431 0.97 ALDH1A1 (0.47) TSHRALDH1A1THRBLMNAEPHX1
Heptane SCHEMBL4434566 0.97 ALDH1A1 (0.47) TSHRALDH1A1THRBLMNAEPHX1
Hexane SCHEMBL5237862 0.97 ALDH1A1 (0.53) TSHRALDH1A1THRBLMNAEPHX1
Hexane SCHEMBL22134480 0.97 ALDH1A1 (0.53) TSHRALDH1A1THRBLMNAEPHX1
Hexane SCHEMBL224276 0.97 ALDH1A1 (0.53) TSHRALDH1A1THRBLMNAEPHX1
Hexane SCHEMBL14895621 0.97 ALDH1A1 (0.53) TSHRALDH1A1THRBLMNAEPHX1
Nonane SCHEMBL9452411 0.94 TSHR (0.44) TSHRALDH1A1THRBLMNACES2
Heptane SCHEMBL21580605 0.94 TSHR (0.44) TSHRALDH1A1THRBLMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271264-A Method for continuously extracting and separating tetrahydrofuran and methanol mixed solvent 山东汇海医药化工有限公司 2024-07-02 CN claimed
CN-117945936-A Method for preparing 5-aminolevulinic acid hydrochloride 江苏联环药业股份有限公司 2024-04-30 CN claimed
US-20220023268-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID FOR THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2022-01-27 US claimed
CN-108794342-A Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof 武汉朗来科技发展有限公司 2018-11-13 CN claimed
US-8748625-B2 Crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid PTC THERAPEUTICS, INC. (US) 2014-06-10 US claimed
US-20130158081-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID PTC THERAPEUTICS, INC. (US) 2013-06-20 US claimed
EP-2559689-A1 Preparation process for crystalline forms of 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]benzoic acid PTC Therapeutics, Inc. (US) 2013-02-20 EP claimed
CN-100497285-C Method for synthesizing inverse-4-(inverse-4'-alkyl cyclohexyl) cyclohexyl methyl aldehyde XI AN RUILIAN MODERN ELECTRONI (CN) 2009-06-10 CN claimed
CN-101062889-A Method for synthesizing inverse-4-(inverse-4'-alkyl cyclohexyl) cyclohexyl methyl aldehyde XI AN RUILIAN MODERN ELECTRONI (CN) 2007-10-31 CN claimed
EP-0915898-B1 CRYSTAL FORM I OF CLARITHROMYCIN ABBOTT LAB (US) 2003-12-03 EP claimed
WO-2003002548-A1 A PROCESS FOR THE PREPARATION OF CHIRAL GLUCOCORTICOID RECEPTOR AGENTS ABBOTT LABORATORIES (US) 2003-01-09 WO claimed
EP-0915898-A1 CRYSTAL FORM I OF CLARITHROMYCIN Abbott Laboratories (US) 1999-05-19 EP claimed
US-5858986-A CONVERTING ERYTHROMYCIN A INTO ITS 9-OXIME DERIVATIVE; PROTECTING 2' AND 4? HYDROXY GROUPS; METHYLATION; DEPROTECTING AND DEOXIMATING; TREATING WITH SOLVENT; ISOLATION; DRYING ABBOTT LABORATORIES (US) 1999-01-12 US claimed
WO-1998004573-A1 CRYSTAL FORM I OF CLARITHROMYCIN ABBOTT LABORATORIES (US) 1998-02-05 WO claimed
EP-4392423-A1 QUINAZOLINE COMPOUNDS FOR TREATMENT OF DISEASE Arthrosi Therapeutics, Inc. (US) 2024-07-03 EP disclosed
CN-118271264-A Method for continuously extracting and separating tetrahydrofuran and methanol mixed solvent 山东汇海医药化工有限公司 2024-07-02 CN disclosed
CN-118271264-A Method for continuously extracting and separating tetrahydrofuran and methanol mixed solvent 山东汇海医药化工有限公司 2024-07-02 CN disclosed
US-4163853-A 1-(P-phenoxy)benzyl-1,2,3,4,5,6,7,8-octahydroisoquinolines HOFFMANN-LA ROCHE INC. (US) 1979-08-07 US disclosed
US-4113729-A ANALGESICS, NARCOTIC ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1978-09-12 US disclosed
US-4011147-A METHOD FOR DIAPHRAGM ELECTROLYSIS OF ALKALI METAL HALIDES MARUZEN OIL CO. LTD. (JA) 1977-03-08 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 (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-20130158081-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID UPF1, RNMT, EIF4A2 TSHR 2920/4885ALDH1A1 3399/4885THRB 3956/4885
US-20220023268-A1 CRYSTALLINE FORMS OF 3-[5-(2-FLUOROPHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZOIC ACID FOR THE TREATMENT OF DISEASE UPF1, RNMT, RBM17 TSHR 2894/4885ALDH1A1 3498/4885THRB 3497/4885

“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.