Butane

Butane

SCHEMBL2697730

CC1(C(=O)O)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl.CCCC.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.32
CNR1 P21554 7/20 0.32
CNR2 P34972 7/20 0.32
SLC6A9 P48067 1/20 0.32
MARS1 P56192 1/20 0.32
GRM4 Q14833 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 1/20 0.31
KCNH2 Q12809 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
Butane SCHEMBL677651 0.88 LMNA (0.42) LMNAGABRA2GABRB2GRM5CNR1
Butane SCHEMBL20916981 0.88 LMNA (0.42) LMNAGABRA2GABRB2GRM5CNR1
SCHEMBL471146 0.83 LMNA (0.45) LMNAGABRA2GABRB2GRM5MARS1
SCHEMBL29686790 0.83 LMNA (0.45) LMNAGABRA2GABRB2GRM5MARS1
SCHEMBL135365 0.83 LMNA (0.45) LMNAGABRA2GABRB2GRM5MARS1
Prosulfocarb SCHEMBL2372158 0.77 GRM5 (0.38) LMNAGABRA2GABRB2L3MBTL1GRM5
SCHEMBL19698080 0.76 LMNA (0.41) LMNAGABRA2GABRB2L3MBTL1GRM5
SCHEMBL6061258 0.75 GABRA2 (0.42) LMNAGABRA2GABRB2ALDH1A1SMN1; SMN2
(Rs)-Indanofan SCHEMBL14655484 0.75 CHRNA1 (0.32)
SCHEMBL29419101 0.75 GABRA2 (0.42) LMNAGABRA2GABRB2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108424-A1 Novel complex for use in stabilizing herbicidal compositions and merthods for synthesizing and using the same BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-05-03 US claimed
EP-1965643-A2 NOVEL COMPLEX FOR USE IN STABILIZING HERBICIDAL COMPOSITIONS AND METHODS FOR SYNTHESIZING AND USING THE SAME Bayer Cropscience LP (US) 2008-09-10 EP claimed
WO-2007067472-A2 NOVEL COMPLEX FOR USE IN STABILIZING HERBICIDAL COMPOSITIONS AND METHODS FOR SYNTHESIZING AND USING THE SAME BAYER CROPSCIENCE LP (US) 2007-06-14 WO claimed

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-20120108424-A1 Novel complex for use in stabilizing herbicidal compositions and merthods for synthesizing and using the same DDT, AS3MT, ACHE LMNA 4527/4885GABRA2 2861/4885GABRB2 2150/4885

“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.