Butane

Butane

SCHEMBL6314543

CCCC.O=C(O)c1sc(C(=O)O)c2c1OCO2

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GPR35 Q9HC97 5/20 0.32
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8539380 0.89 ALDH1A1 (0.34) ALDH1A1HPGDTSHRGPR35POLB
SCHEMBL8539138 0.83 KMT2A (0.44) ALDH1A1HPGDTSHRPOLB
SCHEMBL1720848 0.76 BAZ2B (0.35) ALDH1A1HPGDTSHRGPR35POLB
Water SCHEMBL6834330 0.74 XDH (0.35) ALDH1A1HPGDTSHRGPR35POLB
SCHEMBL28343182 0.74 BAZ2B (0.34) ALDH1A1HPGDTSHRGPR35POLB
SCHEMBL4984511 0.73 GPR35 (0.31) ALDH1A1HPGDTSHRGPR35
SCHEMBL6314895 0.73 KMT2A (0.49) ALDH1A1HPGDTSHRPOLB
SCHEMBL4240972 0.72 ALDH1A1 (0.33) ALDH1A1HPGDTSHRGPR35POLB
SCHEMBL421448 0.71 GRM2 (0.33) ALDH1A1
SCHEMBL5730433 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927298-B2 3,4-alkylenedioxythiophenedioxide compounds and polymers comprising monomeric units thereof AGFA-GEVAERT (BE) 2005-08-09 US disclosed
US-20040097741-A1 3,4-alkylenedioxythiophenedioxide compounds and polymers comprising monomeric units thereof AGFA-GEVAERT (BE) 2004-05-20 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-20040097741-A1 3,4-alkylenedioxythiophenedioxide compounds and polymers comprising monomeric units thereof ADH1C, ADH1A, SCO2 ALDH1A1 15/4885HPGD 1958/4885TSHR 2640/4885

“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.