Butane

Butane

SCHEMBL379259

C#CCOC(=O)CC(=O)OCC#C.CCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.42
GSTP1 P09211 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 3/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 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
SCHEMBL10527889 0.91 NPC1 (0.45) L3MBTL1MGAMGAASIMGAM2
Butane SCHEMBL17837018 0.90 L3MBTL1 (0.46) L3MBTL1MGAMGAASIMGAM2
SCHEMBL7255120 0.89 GAA (0.65) L3MBTL1MGAMGAASIMGAM2
SCHEMBL1356929 0.83 L3MBTL1 (0.44) L3MBTL1MGAMGAASIMGAM2
SCHEMBL9524131 0.82 MGAM (0.48) L3MBTL1MGAMGAASIMGAM2
SCHEMBL576638 0.82
SCHEMBL577113 0.81
Ammonia Solution, Strong SCHEMBL11866257 0.80 MGAM (0.46) L3MBTL1MGAMGAASIMGAM2
SCHEMBL25284864 0.79 TSHR (0.42) L3MBTL1MGAMGAASIMGAM2
SCHEMBL5805525 0.78 L3MBTL1 (0.64) L3MBTL1ZDHHC20GSTP1ALDH1A1TSHR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391218-B1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS INC (US) 2020-03-18 EP disclosed
US-10398781-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2019-09-03 US disclosed
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9745355-B2 Binding-site modified lectins and uses thereof SMARTCELLS, INC. (US) 2017-08-29 US disclosed
US-9579391-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2017-02-28 US disclosed
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2016-07-07 US disclosed
US-9265838-B2 Conjugate based systems for controlled drug delivery SMART CELLS, INC. (US) 2016-02-23 US disclosed
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2015-09-24 US disclosed
US-9068013-B2 Recombinant lectins, binding-site modified lectins and uses thereof SMART CELLS, INC. (US) 2015-06-30 US disclosed
US-9050370-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2015-06-09 US disclosed
EP-2408470-A1 Soluble non-depot insulin conjugates and uses thereof Smartcells, Inc. (US) 2012-01-25 EP disclosed
US-20120010134-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2012-01-12 US disclosed
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. 2011-12-08 US disclosed
EP-2391215-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF Smartcells, Inc. (US) 2011-12-07 EP disclosed
US-20110281792-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. 2011-11-17 US disclosed
US-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2011-11-10 US disclosed
WO-2010107520-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-09-23 WO disclosed
WO-2010088286-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088261-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088294-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2010-08-05 WO 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 (8 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-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SLC2A4, SLC2A8, CD44 L3MBTL1 1047/4885MGAM 77/4885GAA 165/4885
US-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 L3MBTL1 3063/4885MGAM 113/4885GAA 160/4885
US-20120010134-A1 SOLUBLE NON-DEPOT INSULIN CONJUGATES AND USES THEREOF GPR119, IAPP, IRS1 L3MBTL1 1824/4885MGAM 68/4885GAA 178/4885
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 L3MBTL1 3063/4885MGAM 113/4885GAA 160/4885
US-20110281792-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SIGLEC7, SIGLEC9, LGALS3BP L3MBTL1 295/4885MGAM 54/4885GAA 76/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 L3MBTL1 3063/4885MGAM 113/4885GAA 160/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 L3MBTL1 3063/4885MGAM 113/4885GAA 160/4885
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 L3MBTL1 3063/4885MGAM 113/4885GAA 160/4885

“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.