Butane

Butane

SCHEMBL5267066

C(COCC1CO1)OCC1CO1.CCCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
ALDH1A1 P00352 9/20 0.69
TDP1 Q9NUW8 2/20 0.69
TSHR P16473 5/20 0.65
MAPK1 P28482 1/20 0.52
GLA P06280 1/20 0.35
PDK1 Q15118 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 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
SCHEMBL14205384 0.91 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16004796 0.91 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16004916 0.91 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL4654896 0.91 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL143771 0.90
Butane SCHEMBL150394 0.90 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL22418810 0.89 TSHR (0.79) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20094 0.89 TSHR (0.79) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16684221 0.89 TSHR (0.79) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL17197994 0.89 TSHR (0.79) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234676-B Low density aerospace compositions and sealants PRC-迪索托国际公司 2022-07-01 CN disclosed
CN-107108892-B Polythioether sealants with extended processing time PRC-迪索托国际公司 2021-05-11 CN disclosed
EP-1844767-A2 Epoxide hydrolase complexes and methods therewith The Regents of the University of California (US) 2007-10-17 EP disclosed
EP-1154764-B1 USE OF EPOXIDE HYDROLASE COMPLEXES FOR TREATING HYPERTENSION UNIV CALIFORNIA (US) 2007-10-10 EP disclosed
US-20060035869-A1 Inhibitors of epoxide hydrolases for the treatment of hypertension THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2006-02-16 US disclosed
EP-1154764-A4 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH UNIV CALIFORNIA (US) 2005-02-16 EP disclosed
EP-1154764-A1 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-21 EP disclosed
US-6150415-A TREATING EPOXIDE HYDROLASE TO PURIFY, ISOLATE OR INHIBIT THE ENZYME BY CONTACTING A UREA DERIVATIVE OR OTHER SPECIFIED COMPOUNDS IN FREE OR IMMOBILIZED FORM WITH THE ACTIVE ENZYME TO FORM A COMPLEX WHICH MODIFYS THE ENZYME ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-21 US disclosed
WO-2000048593-A1 EPOXIDE HYDROLASE COMPLEXES AND METHODS THEREWITH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-24 WO disclosed
EP-0012559-B1 POLYVINYL CHLORIDE - ETHYLENE OXIDE POLYMER BLENDS AND METHODS OF MODIFYING THE IMPACT AND MELT FLOW PROPERTIES OF POLYVINYL CHLORIDE ROHM AND HAAS COMPANY (US) 1983-06-22 EP disclosed
US-4230827-A Ethylene oxide polymers as impact modifiers for PVC ROHM AND HAAS COMPANY (US) 1980-10-28 US disclosed
EP-0012559-A1 Polyvinyl chloride - ethylene oxide polymer blends and methods of modifying the impact and melt flow properties of polyvinyl chloride ROHM AND HAAS COMPANY (US) 1980-06-25 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-20060035869-A1 Inhibitors of epoxide hydrolases for the treatment of hypertension EPHX1, EPHX2, NCEH1 SMN1; SMN2 4873/4885ALDH1A1 531/4885TDP1 2783/4885

“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.