SCHEMBL242247

SCHEMBL242247

OCCCc1ccc(CCO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.62
TDP1 Q9NUW8 1/20 0.57
CYP4A11 Q02928 5/20 0.52
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL239040 0.94 CA2 (0.60) CA2TDP1CYP4A11LTA4HEPHX2
SCHEMBL547631 0.91 CA2 (0.58) CA2TDP1CYP4A11LTA4HEPHX2
SCHEMBL40656 0.87 CA2 (0.77) CA2TDP1CYP4A11CA12CA1
Hydrocinnamyl Alcohol SCHEMBL9395407 0.87 TDP1 (0.80) CA2TDP1LTA4HEPHX2TSHR
Hydrocinnamyl Alcohol SCHEMBL8749809 0.87 TDP1 (0.80) CA2TDP1LTA4HEPHX2TSHR
SCHEMBL2329516 0.86 CA2 (0.54) CA2TDP1CYP4A11LTA4HEPHX2
SCHEMBL3535251 0.86 CA2 (0.54) CA2TDP1CYP4A11LTA4HEPHX2
SCHEMBL242504 0.85 CA2 (0.61) CA2TDP1CYP4A11LTA4HEPHX2
SCHEMBL6057959 0.84 CA2 (0.72) CA2TDP1CYP4A11LTA4HCA12
SCHEMBL274830 0.83 CA2 (0.71) CA2TDP1CYP4A11LTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004361-A1 POLYURETHANE RESIN AQUEOUS DISPERSION AND MANUFACTURING METHOD THEREOF UBE INDUSTRIES, LTD. (JP) 2012-01-05 US disclosed
CN-102307921-A Aqueous polyurethane resin dispersion and process for producing the same UBE INDUSTRIES 2012-01-04 CN disclosed
EP-2395037-A1 POLYURETHANE RESIN AQUEOUS DISPERSION AND MANUFACTURING METHOD THEREOF Ube Industries, Ltd. (JP) 2011-12-14 EP disclosed
US-20110190471-A1 POLYCARBONATE DIOL AND POLYCARBONATE DIOL COPOLYMER UBE INDUSTRIES, LTD. (JP) 2011-08-04 US disclosed
CN-102112522-A Polycarbonate diol and polycarbonate diol copolymer UBE INDUSTRIES 2011-06-29 CN disclosed
EP-2308914-A1 POLYCARBONATE DIOL AND POLYCARBONATE DIOL COPOLYMER Ube Industries, Ltd. (JP) 2011-04-13 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-20110190471-A1 POLYCARBONATE DIOL AND POLYCARBONATE DIOL COPOLYMER PKD1, ZDHHC9, PLD1 CA2 1395/4885TDP1 2579/4885CYP4A11 1058/4885

“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.