Butane

Butane

SCHEMBL1339345

CCCC.COc1ccc(O[PH](=O)O)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NR1I2 O75469 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GSK3B P49841 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL17061022 0.92 CA1 (0.52) CA1CA2CA12CA7CA9
Selenic Acid SCHEMBL29153994 0.88 CA1 (0.48) CA1CA2CA12CA7CA9
Butane SCHEMBL976220 0.82 LTA4H (0.38)
Butane SCHEMBL11055059 0.80 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL15849787 0.80 MEN1 (0.30)
Butane SCHEMBL4325616 0.79 SMN1; SMN2 (0.46) CA1CA2CA9HDAC3HDAC1
Butane SCHEMBL3765407 0.78 IDO1 (0.47) HTTLDHA
Butane SCHEMBL8387084 0.78 CHRNB2 (0.41) TAS1R3TAS1R1GSK3BHDAC8
Butane SCHEMBL9159352 0.78 MGLL (0.47) CA1CA2CA9PARP10PARP2
SCHEMBL17061036 0.78 NQO1 (0.58) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3674347-B1 ETHYLENEIMINE POLYMER SOLUTION NIPPON CATALYTIC CHEM IND (JP) 2023-12-20 EP disclosed
US-11332616-B2 Ethyleneimine polymer solution and method for producing same NIPPON SHOKUBAI CO., LTD. (JP) 2022-05-17 US disclosed
US-20200362168-A1 ETHYLENEIMINE POLYMER SOLUTION AND METHOD FOR PRODUCING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2020-11-19 US disclosed
EP-3674347-A1 ETHYLENEIMINE POLYMER SOLUTION AND METHOD FOR PRODUCING SAME Nippon Shokubai Co., Ltd. (JP) 2020-07-01 EP disclosed
EP-2492258-A1 METHOD FOR MANUFACTURING A TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE Hitachi Chemical Company, Ltd. (JP) 2012-08-29 EP disclosed
US-20120203026-A1 METHOD FOR MANUFACTURING TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-08-09 US disclosed
US-8062816-B2 Phosphonate hole blocking layer photoconductors XEROX CORPORATION (US) 2011-11-22 US disclosed
US-20090297967-A1 PHOSPHONATE HOLE BLOCKING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-12-03 US disclosed
EP-2128709-A1 Phosphonate Hole Blocking Layer Photoconductors Xerox Corporation (US) 2009-12-02 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-20120203026-A1 METHOD FOR MANUFACTURING TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE MCCC2, HACL2, HPD CA1 45/4885CA2 61/4885CA12 62/4885

“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.