Hexane

Hexane

SCHEMBL3626693

CC(C)C(C)(OC(C)(C(C)C)C(C)C)C(C)C.CCCCCC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
OPRM1 P35372 1/20 0.36
LMNA P02545 3/20 0.32
TRPM8 Q7Z2W7 6/20 0.32
DNM1 Q05193 2/20 0.32
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL377401 0.82
Alcohol SCHEMBL3498911 0.80 TSHR (0.35) CTSKTSHR
2,2,3-Trimethylbutane SCHEMBL11333900 0.73 TSHR (0.53) TSHRTHRBOPRM1LMNATRPM8
Hexane SCHEMBL27875071 0.70 SMN1; SMN2 (0.41) CTSKTSHRTHRBOPRM1LMNA
Hexane SCHEMBL7875362 0.69 TSHR (0.47) TSHRTHRBLMNADNM1SLC22A1
Hexane SCHEMBL28065491 0.69 OPRM1 (0.43) TSHRTHRBOPRM1DNM1
Hexane SCHEMBL28709670 0.67 TSHR (0.64) TSHRTHRBLMNADNM1SLC22A1
Hexane SCHEMBL27748725 0.67 TSHR (0.64) TSHRTHRBOPRM1LMNATRPM8
Hexane SCHEMBL1048428 0.67 TSHR (0.64) TSHRTHRBOPRM1LMNATRPM8
Hexane SCHEMBL1554946 0.67 TSHR (0.44) TSHRTHRBLMNADNM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 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 (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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 CTSK 1066/4885TSHR 4846/4885THRB 4694/4885

“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.