SCHEMBL8934094

SCHEMBL8934094

COC(=O)Cc1ccc(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GLA P06280 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
SCHEMBL13576829 0.91 KDM4E (0.53) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL12508637 0.86 KDM4E (0.49) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL68310 0.83 KDM4E (0.56) KDM4ECYP1A2SMN1; SMN2EGFRL3MBTL1
SCHEMBL694934 0.81 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL11462750 0.81 KDM4E (0.46) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL27741466 0.80 TDP1 (0.56) CASP1KDM4ECYP1A2SMN1; SMN2TDP1
SCHEMBL18791620 0.80 CYP1A2 (0.50) CASP1KDM4ECYP1A2SMN1; SMN2L3MBTL1
SCHEMBL13209936 0.80 CYP2C9 (0.48) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL6604210 0.79 KDM4E (0.44) KDM4ESMN1; SMN2EGFRL3MBTL1TDP1
SCHEMBL12508634 0.79 KDM4E (0.52) KDM4ECYP1A2SMN1; SMN2EGFRL3MBTL1

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-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
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 CASP1 270/4885KDM4E 1219/4885CYP1A2 79/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CASP1 438/4885KDM4E 2010/4885CYP1A2 979/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CASP1 547/4885KDM4E 988/4885CYP1A2 100/4885

“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.