Hexane

Hexane

SCHEMBL4333874

CCCCCC.CCCCCC.CCCCCC.ClC(Cl)Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.47
DNM1 Q05193 6/20 0.44
SLC22A1 O15245 2/20 0.44
SLC22A2 O15244 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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 SCHEMBL4325387 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL9879436 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL3782949 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL55152 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL4330650 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Hexane SCHEMBL9244722 1.00 TSHR (0.58) TSHRTHRBALDH1A1LMNATDP1
Octane SCHEMBL4077297 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1
Hexane SCHEMBL1484516 0.96 TSHR (0.54) TSHRTHRBALDH1A1LMNATDP1
Chloroform SCHEMBL28294775 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1
Heptane SCHEMBL349511 0.96 TSHR (0.67) TSHRTHRBALDH1A1LMNADNM1

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-20090039765-A1 LIGHT EMITTING POLYMER COMPOSITION AND POLYMER LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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-20090039765-A1 LIGHT EMITTING POLYMER COMPOSITION AND POLYMER LIGHT EMITTING DEVICE CYBA, BCAT1, CRY1 TSHR 4076/4885THRB 3642/4885ALDH1A1 913/4885

“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.