Butane

Butane

SCHEMBL5481709

CCCC.CCOC(=O)CO[PH](=O)O

nearest known ligand 0.44

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
NLRP3 Q96P20 4/20 0.41
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 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
SCHEMBL3618711 0.96 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Butane SCHEMBL10937059 0.81 TSHR (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3618713 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Butane SCHEMBL11087786 0.80 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
Butane SCHEMBL11764407 0.77 NPSR1 (0.41) NPSR1SOAT1
SCHEMBL17135342 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Ethyl Hydrogen Phosphonate SCHEMBL26482 0.77 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
Butane SCHEMBL10974230 0.76 CES2 (0.39) ALDH1A1
Butane SCHEMBL10785306 0.76 PAM (0.36) ALDH1A1TSHRHSD17B10ALOX15KMT2A
SCHEMBL11214872 0.75 TSHR (0.42) ALDH1A1TSHRLMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991689-B1 THREAD-FORMING, CHAIN-BRANCHED POLYESTERS AND COPOLYESTERS ACORDIS IND FIBERS GMBH (DE) 2003-11-26 EP claimed
EP-0102115-B1 POLYESTER-ESTER URETHANE AKZO N.V. (NL) 1987-06-10 EP claimed
EP-0159053-A1 Polyester-ester urethane AKZO N.V. (NL) 1985-10-23 EP claimed
US-4483970-A BLOCK POLYMERS, MOLDING MATERIALS AKZO N.V. (NL) 1984-11-20 US claimed
EP-0102115-A1 Polyester-ester urethane AKZO N.V. (NL) 1984-03-07 EP claimed
US-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-10-25 US disclosed
EP-0846712-B1 Copolyester elastomer DSM NV (NL) 2000-05-03 EP disclosed
US-5914386-A HARD POLYESTER SEGMENT DERIVED FROM AN ALIPHATIC DIOL AND AN AROMATIC DIACID COPOLYMERIZED WITH A SOFT POLYESTER SEGMENT DERIVED FROM AN ALIPHATIC CARBONATE WHERE THE TWO COPOLYESTER UNITS ARE JOINED BY A URETHANE GROUP; CABLE SHEATHS DSM N.V. (NL) 1999-06-22 US disclosed
EP-0846712-A1 Copolyester elastomer DSM N.V. (NL) 1998-06-10 EP disclosed
US-5191113-A Enzyme inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0291247-B1 NOVEL CINNAMOYLAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
US-5093366-A Alpha-reductase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1992-03-03 US disclosed
US-4493846-A Bicyclooctane derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0036730-B1 BICYCLOOCTANE DERIVATIVES, PROCESSES FOR PRODUCING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE AS PHARMACEUTICALS AND PRECURSORS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-02 EP disclosed
US-4483970-A BLOCK POLYMERS, MOLDING MATERIALS AKZO N.V. (NL) 1984-11-20 US disclosed
EP-0102115-A1 Polyester-ester urethane AKZO N.V. (NL) 1984-03-07 EP disclosed
EP-0013461-B1 PROCESS FOR THE PREPARATION OF A SEGMENTED THERMOPLASTIC ELASTOMER AKZO N.V. (NL) 1983-04-06 EP disclosed
EP-0036730-A2 Bicyclooctane derivatives, processes for producing them, pharmaceutical compositions containing them, their use as pharmaceuticals and precursors thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-09-30 EP disclosed
EP-0013461-A1 Process for the preparation of a segmented thermoplastic elastomer AKZO N.V. (NL) 1980-07-23 EP disclosed
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 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-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods ME1, PICALM, CA6 GAA 545/4885MGAM 20/4885SI 218/4885

“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.