SCHEMBL3819637

SCHEMBL3819637

CCOc1ccncc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
AOC3 Q16853 3/20 0.50
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
S1PR1 P21453 7/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR3 Q99500 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL14318906 0.89 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL14159678 0.89 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL14424010 0.83 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL10599289 0.83 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL4079147 0.83 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL29011983 0.82 PTGS1 (0.54) CA12CA1CA2CA9CA14
SCHEMBL4079144 0.81 CA12 (0.53) CA12CA1CA2CA9CA14
SCHEMBL22193248 0.81 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL21105568 0.81 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL5700368 0.81 CA12 (0.57) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110389502-A Electrophotography component, handle box and electronic photographing device 佳能株式会社 2019-10-29 CN disclosed
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 CA12 512/4885CA1 195/4885CA2 725/4885

“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.