SCHEMBL8912608

SCHEMBL8912608

CCOC(=O)c1cccc2cc(C)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.60
TSHR P16473 1/20 0.56
CDC25A P30304 1/20 0.52
CDC25C P30307 1/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CLEC4M Q9H2X3 1/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 3/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL15703593 0.88 CDC25B (0.60) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL69303 0.87 TSHR (0.63) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL8056360 0.86 CDC25B (0.58) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL2116049 0.86 CDC25B (0.58) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL6297205 0.85 CDC25B (0.57) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL343944 0.84 NR4A2 (0.53) TSHRKDM4EALDH1A1RAB9AHPGD
Hydrochloric Acid SCHEMBL6987956 0.84 CDC25B (0.56) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL11272281 0.84 CDC25B (0.60) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL277672 0.83 CDC25B (0.82) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL7022191 0.83 TSHR (0.62) CDC25BTSHRCDC25ACDC25CKDM4E

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 7 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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 CDC25B 2753/4885TSHR 1585/4885CDC25A 1846/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CDC25B 1025/4885TSHR 2239/4885CDC25A 236/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CDC25B 2687/4885TSHR 743/4885CDC25A 2001/4885

“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.