Heptane

Heptane

SCHEMBL1975945

CCCCCCC.CN(C)C=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.50
ADH1C P00326 3/20 0.48
ADH1A P07327 3/20 0.48
ADH4 P08319 3/20 0.48
ADH1B P00325 2/20 0.48
ADH7 P40394 2/20 0.48
EPHX1 P07099 1/20 0.48
DNM1 Q05193 3/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
EPHX2 P34913 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
Hexadecane SCHEMBL28158362 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Octane SCHEMBL8523622 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Dodecane SCHEMBL28219621 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Decane SCHEMBL27095057 1.00 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Hexane SCHEMBL913216 0.97 TSHR (0.60) TSHRTHRBADH1CADH1AADH4
Pentane SCHEMBL28217044 0.90 TSHR (0.60) TSHRTHRBADH1CADH1AADH4
Pentane SCHEMBL28141221 0.88 TSHR (0.56) TSHRTHRBADH1CADH1AADH4
Octanol SCHEMBL27660517 0.87 TSHR (0.62) TSHRTHRBADH1CADH1AADH4
Dimethylformamide SCHEMBL28799762 0.87 TSHR (0.43) TSHRTHRBADH1CADH1AADH4
Dimethylformamide SCHEMBL28261689 0.87 TSHR (0.43) TSHRTHRBADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106967094-B The manufacturing method of hydrazine compound, the manufacturing method of optically anisotropic body and polymerizable compound 日本瑞翁株式会社 2019-11-15 CN disclosed
CN-110462465-A Liquid-crystal composition, liquid crystal cured film and its manufacturing method ZEON CORP 2019-11-15 CN disclosed
CN-110392850-A Liquid crystal cured film and its manufacturing method 日本瑞翁株式会社 2019-10-29 CN disclosed
CN-106278943-B Optical thin film, polymerizable compound, polymerizable composition, polymerizable composition, macromolecule, optically anisotropic body and hydrazine compound 日本瑞翁株式会社 2019-07-30 CN disclosed
CN-109072082-A The manufacturing method of liquid crystalline composition, liquid crystal cured layer and the liquid crystal cured layer 日本瑞翁株式会社 2018-12-21 CN disclosed
CN-108774293-A Compound, the manufacturing method of polymerizable compound and hydrazine compound 日本瑞翁株式会社 2018-11-09 CN disclosed
CN-108431175-A Liquid crystalline composition, liquid crystal cured layer and its manufacturing method and optical film 日本瑞翁株式会社 2018-08-21 CN disclosed
CN-105745233-B Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body 日本瑞翁株式会社 2018-06-12 CN disclosed
CN-107963997-A The manufacture method of compound, mixture and polymerizable compound 日本瑞翁株式会社 2018-04-27 CN disclosed
CN-105452311-B Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body 日本瑞翁株式会社 2018-01-16 CN disclosed
CN-1876824-A Method for preparing cytosine arabinoside ester by enzyme catalysis UNIV SOUTH CHINA TECH (CN) 2006-12-13 CN disclosed
US-20060252794-A1 Process for preparing 5-'(r)-2-(5,6-diethyl-indian-2-ylamino)-1-hydroxy-ethyl!-8-hydroxy-(1h)-quinolin-2-one salt, useful as an andrenoceptor agonist NOVARTIS AG (CH) 2006-11-09 US disclosed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 US disclosed
EP-1613599-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES Novartis AG (CH) 2006-01-11 EP disclosed
EP-1599450-A1 PROCESS FOR PREPARING 5-\"(R)-2-(5,6-DIETHYL-INDIAN-2-YLAMIN O)-1-HYDROXY-ETHYL!-8-HYDROXY-(1H)-QUINOLIN-2-ONE SALT, USEFUL AS AN ADRENOCEPTOR AGONIST Novartis AG (CH) 2005-11-30 EP disclosed
EP-1487782-A1 PROCESS FOR PREPARING NATEGLINIDE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-22 EP disclosed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 WO disclosed
WO-2004076422-A1 PROCESS FOR PREPARING 5-‘(R)-2-(5,6-DIETHYL-INDIAN-2-YLAMINO)-1-HYDROXY-ETHYL!-8-HYDROXY-(1H)-QUINOLIN-2-ONE SALT, USEFUL AS AN ADRENOCEPTOR AGONIST NOVARTIS AG (CH) 2004-09-10 WO disclosed
WO-2004005240-A1 PROCESS FOR PREPARING NATEGLINIDE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-01-15 WO disclosed
US-4197242-A USED AS PIGMENTS, PHOTORECEPTORS XEROX CORPORATION (US) 1980-04-08 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-20060252794-A1 Process for preparing 5-'(r)-2-(5,6-diethyl-indian-2-ylamino)-1-hydroxy-ethyl!-8-hydroxy-(1h)-quinolin-2-one salt, useful as an andrenoceptor agonist OPRL1, HTR5A, HTR7 TSHR 233/4885THRB 875/4885ADH1C 434/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 TSHR 1260/4885THRB 2260/4885ADH1C 116/4885

“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.