Heptane

Heptane

SCHEMBL5480159

CCCC(C)OC(C)CCC.CCCCCCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 3/20 0.39
TRPM8 Q7Z2W7 3/20 0.38
FAAH O00519 3/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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 SCHEMBL3260751 0.97 OPRM1 (0.43) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL1311730 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL1932673 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL31121318 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL1932307 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL1930626 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL6420889 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL7757207 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL534657 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1
SCHEMBL5012572 0.89 OPRM1 (0.48) TSHRTHRBDNM1OPRM1SPHK1

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL TSHR 4486/4885THRB 4634/4885DNM1 1111/4885

“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.