Hexane

Hexane

SCHEMBL4268972

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.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 SCHEMBL7917492 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL9254800 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL14814561 1.00 TSHR (0.54) TSHRTHRBLMNASLC22A1SLC22A2
Hexane SCHEMBL1110546 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO 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 (1 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD TSHR 615/4885THRB 2616/4885LMNA 3919/4885

“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.