Hexane

Hexane

SCHEMBL9714516

CC(C)(O)F.CCCCCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.48
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
CES1 P23141 6/20 0.46
CES2 O00748 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LPAR1 Q92633 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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 SCHEMBL7049072 0.85 TSHR (0.54) TSHRTHRBCES1CES2MEN1
Heptane SCHEMBL502780 0.81 TSHR (0.61) TSHRTHRBCES1CES2MEN1
Decane SCHEMBL27152672 0.81 TSHR (0.61) TSHRTHRBCES1CES2MEN1
Hexane SCHEMBL20877590 0.81 TSHR (0.58) FAAHTSHRTHRBCES1CES2
Hexane SCHEMBL28293459 0.80 FAAH (0.44) FAAHTSHRTHRBCES1CES2
SCHEMBL29084332 0.80 CES2 (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL15201721 0.80 CES2 (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL15201847 0.80 CES2 (0.50) FAAHCES1CES2MEN1KMT2A
Hexane SCHEMBL28858797 0.79 SMN1; SMN2 (0.53) TSHRTHRBMEN1KMT2AHSD17B10
SCHEMBL7779410 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4213321-A None JP disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
JP-H04213321-A SUTURE, POLYALKYLENE CARBONATE FOR COATING AND BIO-ABSORBABLE COPOLYMER OF RHO-DIOXANONE ETHICON INC 1992-08-04 JP 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS FAAH 2969/4885TSHR 4602/4885THRB 4622/4885

“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.