Hexane

Hexane

SCHEMBL580067

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC(C(Cl)Cl)C(Cl)Cl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
LMNA P02545 1/20 0.40
DNM1 Q05193 2/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
SLC22A1 O15245 3/20 0.38
SLC22A2 O15244 1/20 0.38
FDPS P14324 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL1081317 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
Hexane SCHEMBL1080155 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
Hexane SCHEMBL244151 1.00 OPRM1 (0.43) OPRM1LMNADNM1TSHRTHRB
Heptane SCHEMBL1323676 0.97 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB
Pentane SCHEMBL8736679 0.88 TSHR (0.41) OPRM1LMNADNM1TSHRTHRB
SCHEMBL11395349 0.78 TSHR (0.32) TSHR
SCHEMBL4447269 0.75 OPRM1 (0.48) OPRM1LMNADNM1TSHRTHRB
SCHEMBL169284 0.75
SCHEMBL5999707 0.74 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB
SCHEMBL27908062 0.74 TSHR (0.44) OPRM1LMNADNM1TSHRTHRB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-05 US disclosed
EP-4105222-A1 IRIDIUM COMPLEX COMPOUND, IRIDIUM COMPLEX COMPOUND-CONTAINING COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND PRODUCTION METHOD THEREFOR, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE Mitsubishi Chemical Corporation (JP) 2022-12-21 EP disclosed
CN-115135662-A Iridium complex compound, composition containing iridium complex compound, organic electroluminescent element and method for producing same, organic EL display device, and organic EL lighting device 三菱化学株式会社 2022-09-30 CN disclosed
US-20180305283-A1 Process for Preparing 2,6-Substituted Phenols PPP CHEMISTRY B.V. (NL) 2018-10-25 US disclosed
EP-3374339-A1 PROCESS FOR PREPARING 2,6-SUBSTITUTED PHENOLS PPP Chemistry B.V. (NL) 2018-09-19 EP disclosed
WO-2017081133-A1 PROCESS FOR PREPARING 2,6-SUBSTITUTED PHENOLS PPP CHEMISTRY B.V. (NL) 2017-05-18 WO disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
EP-2418191-A1 Long-chain trimethoxyphenylalkanol derivatives, and pharmaceuticals comprising the same Meiji Co., Ltd. (JP) 2012-02-15 EP disclosed
US-7893304-B2 Hydroquinone long-chain derivatives and/or phenoxy long-chain derivatives, and pharmaceuticals comprising the same MEIJI DAIRIES CORPORATION (JP) 2011-02-22 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 US disclosed
EP-1854777-A1 HYDROQUINONE LONG-CHAIN DERIVATIVE AND/OR PHENOXY LONG-CHAIN DERIVATIVE, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME Meiji Dairies Corporation (JP) 2007-11-14 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 (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-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same NQO1, NDUFA10, UQCRC1 OPRM1 136/4885LMNA 2289/4885DNM1 2490/4885
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 OPRM1 4504/4885LMNA 3559/4885DNM1 1481/4885
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator INF2, EMC2, DRD4 OPRM1 563/4885LMNA 4621/4885DNM1 2599/4885
US-20180305283-A1 Process for Preparing 2,6-Substituted Phenols DDT, EPHA6, CYP2B6 OPRM1 251/4885LMNA 3290/4885DNM1 2216/4885

“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.