Hexane

Hexane

SCHEMBL580927

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC(C(Cl)Cl)(C(Cl)Cl)C(Cl)Cl

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
SMPD1 P17405 2/20 0.38
ALDH1A1 P00352 1/20 0.36
GGPS1 O95749 7/20 0.36
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL1080648 1.00 FDPS (0.39) FDPSTSHRTHRBSMPD1ALDH1A1
Pentane SCHEMBL1913961 0.88 TSHR (0.41) FDPSTSHRTHRBALDH1A1
Hexane SCHEMBL3158631 0.86 LMNA (0.37) FDPSTSHRTHRBSMPD1GGPS1
SCHEMBL28475673 0.77 TSHR (0.39) FDPSTSHRTHRBSMPD1GGPS1
SCHEMBL7060348 0.76 TSHR (0.40) FDPSTSHRTHRBSMPD1ALDH1A1
Pentane SCHEMBL1914435 0.76 LMNA (0.30) TSHR
SCHEMBL3048556 0.74 TSHR (0.44) FDPSTSHRTHRBSMPD1GGPS1
Chloroform SCHEMBL28494621 0.74 FDPS (0.40) FDPSSMPD1GGPS1
Hexane SCHEMBL4325387 0.73 TSHR (0.58) TSHRTHRBALDH1A1
Hexane SCHEMBL9244722 0.73 TSHR (0.58) TSHRTHRBALDH1A1

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
US-20120225117-A1 PROCESS FOR PRODUCTION OF W/O/W EMULSION, PROCESS FOR PRODUCTION OF LIPOSOME EMPLOYING THE PROCESS, AND POROUS MEMBRANE FOR USE IN THE PROCESSES KONICA MINOLTA HOLDINGS, INC. (JP) 2012-09-06 US disclosed
EP-2418191-A1 Long-chain trimethoxyphenylalkanol derivatives, and pharmaceuticals comprising the same Meiji Co., Ltd. (JP) 2012-02-15 EP disclosed
US-7893304-B2 Hydroquinone long-chain derivatives and/or phenoxy long-chain derivatives, and pharmaceuticals comprising the same MEIJI DAIRIES CORPORATION (JP) 2011-02-22 US disclosed
US-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 US disclosed
EP-1854777-A1 HYDROQUINONE LONG-CHAIN DERIVATIVE AND/OR PHENOXY LONG-CHAIN DERIVATIVE, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME Meiji Dairies Corporation (JP) 2007-11-14 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-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same NQO1, NDUFA10, UQCRC1 FDPS 4196/4885TSHR 3205/4885THRB 2106/4885

“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.