Hexane

Hexane

SCHEMBL275660

CCCCCC.S=C=S.S=C=S

nearest known ligand 0.58

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
THRB P10828 1/20 0.58
LMNA P02545 3/20 0.50
NAAA Q02083 1/20 0.50
SLC22A1 O15245 3/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL2781361 1.00 TSHR (0.58) TSHRTHRBLMNANAAASLC22A1
Hexane SCHEMBL275495 1.00 TSHR (0.58) TSHRTHRBLMNANAAASLC22A1
Hexane SCHEMBL275309 1.00
Dodecane SCHEMBL28138522 0.96 TSHR (0.67) TSHRTHRBLMNANAAASLC22A1
Heptane SCHEMBL28355078 0.96 TSHR (0.67) TSHRTHRBLMNANAAASLC22A1
Hexadecane SCHEMBL28842818 0.96 TSHR (0.67) TSHRTHRBLMNANAAASLC22A1
Pentane SCHEMBL10582130 0.91
Hexane SCHEMBL21496135 0.84
Hexane SCHEMBL28393830 0.84 TSHR (0.50) TSHRTHRBLMNANAAASLC22A1
Isothiocyanate SCHEMBL7133121 0.81 TSHR (0.57) TSHRTHRBLMNANAAASLC22A1

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
EP-2116521-B1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE JAPAN SCIENCE & TECH AGENCY (JP) 2016-07-06 EP disclosed
US-8134019-B2 Process for producing fullerene derivative JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-03-13 US disclosed
US-20100048934-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-25 US disclosed
EP-2116521-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE Japan Science and Technology Agency (JP) 2009-11-11 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 (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-20100048934-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE INF2, EIF4B, C9 TSHR 4259/4885THRB 4475/4885LMNA 3186/4885

“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.