SCHEMBL3147305

SCHEMBL3147305

CCOC(=O)/C=C/c1ccc(Oc2ccc(N)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FDPS P14324 1/20 0.46
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
MAOB P27338 2/20 0.45
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3147310 1.00 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3611080 0.84 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3611084 0.84 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3134912 0.82 HSPB1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3134922 0.82 HSPB1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL772518 0.80 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL772519 0.80 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL27584641 0.80 CA12 (0.73) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL3936157 0.79 CA12 (0.71) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL3936160 0.79 CA12 (0.71) CA12CA1CA2CA7CA9

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
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 CA12 3264/4885CA1 2999/4885CA2 2029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CA12 619/4885CA1 710/4885CA2 886/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CA12 2300/4885CA1 2222/4885CA2 1149/4885

“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.