Hexane

Hexane

SCHEMBL420404

CCCCCC.CCOCC.CCOCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 2/20 0.54
LMNA P02545 3/20 0.46
SLC22A1 O15245 2/20 0.41
SLC22A2 O15244 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
DNM1 Q05193 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 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 SCHEMBL9730168 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL5320530 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL11106986 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL2165324 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL7375762 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL4953906 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL4268972 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL7917492 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL9254800 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL14814561 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160237053-A1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF NIPPON SUISAN KAISHA, LTD. (JP) 2016-08-18 US disclosed
US-9376415-B2 Tricyclic condensed heterocyclic compound, process of producing same, and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2016-06-28 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
EP-2415768-B1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2015-04-29 EP disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
EP-2511265-A1 BENZAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-10-17 EP disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 US disclosed
EP-2415768-A1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2012-02-08 EP disclosed
US-20120022153-A1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, PROCESS OF PRODUCING SAME, AND USE THEREOF NIPPON SUISAN KAISHA, LTD. (JP) 2012-01-26 US disclosed
CN-1202084-C Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2005-05-18 CN disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
CN-1287553-A Fused benzene heterocycle derivatives and utilization thereof TORAY INDUSTRIES (JP) 2001-03-14 CN disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-5750470-A Herbicidal 2,6-disubstituted pyridine compounds and compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
US-5290790-A Histamine H3 antagonists, psychotropic action NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1994-03-01 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 (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-20120022153-A1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, PROCESS OF PRODUCING SAME, AND USE THEREOF MRM1, RRS1, RIOX2 TSHR 2786/4885THRB 3133/4885LMNA 4074/4885
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TSHR 2073/4885THRB 2286/4885LMNA 3920/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TSHR 2073/4885THRB 2286/4885LMNA 3920/4885
US-20160237053-A1 TRICYCLIC CONDENSED HETEROCYCLIC COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF MRM1, RRS1, RIOX2 TSHR 2155/4885THRB 2846/4885LMNA 3916/4885

“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.