Hexane

Hexane

SCHEMBL2220968

BO.CC#N.CCCCCC.ClCCl

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
AKR1B1 P15121 1/20 0.31

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 SCHEMBL21963542 0.92 TSHR (0.43) TSHRALDH1A1TDP1THRBSMN1; SMN2
Hexane SCHEMBL287327 0.91 TSHR (0.47) TSHRALDH1A1TDP1THRBSMN1; SMN2
Heptane SCHEMBL906776 0.88 TSHR (0.53) TSHRALDH1A1TDP1THRBLMNA
Pentane SCHEMBL28235149 0.85 TSHR (0.47) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL15911551 0.82 TSHR (0.37) TSHRALDH1A1TDP1CES2CES1
Hexane SCHEMBL23782662 0.82 TSHR (0.47) TSHRALDH1A1THRBSMN1; SMN2LMNA
Hexane SCHEMBL22689637 0.82 TSHR (0.47) TSHRALDH1A1THRBSMN1; SMN2LMNA
Hexane SCHEMBL21801281 0.82 TSHR (0.54) TSHRALDH1A1THRBSMN1; SMN2LMNA
Hexane SCHEMBL28068650 0.82 TSHR (0.54) TSHRALDH1A1THRBSMN1; SMN2LMNA
Hexane SCHEMBL232226 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110173718-A1 HERBICIDE TOLERANT PLANTS SYNGENTA CROP PROTECTION, INC. (US) 2011-07-14 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-20110173718-A1 HERBICIDE TOLERANT PLANTS HPD, LCT, GNPAT TSHR 2827/4885ALDH1A1 862/4885TDP1 395/4885

“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.