SCHEMBL8913302

SCHEMBL8913302

Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
EDNRB P24530 5/20 0.43
EDNRA P25101 5/20 0.43
MAOB P27338 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CMA1 P23946 1/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 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
SCHEMBL8913307 0.95 HCRTR2 (0.43) HCRTR2LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL3128716 0.82 ALDH1A1 (0.51) LMNAALDH1A1KMT2ATDP1ALOX15
SCHEMBL8914754 0.80 CMA1 (0.48) LMNAALDH1A1KMT2AKDM4ECMA1
SCHEMBL8913036 0.79 MEN1 (0.51) LMNAALDH1A1KMT2AL3MBTL1HTT
SCHEMBL3128722 0.76 KDM4E (0.49) LMNAALDH1A1KMT2ATDP1ALOX15
SCHEMBL8914746 0.75 CMA1 (0.46) LMNAALDH1A1KMT2AKDM4ECMA1
SCHEMBL3143373 0.74 LMNA (0.37) HCRTR2LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL12275459 0.73 FFAR4 (0.48) ALDH1A1KMT2ATDP1KDM4E
SCHEMBL8915218 0.70 FFAR4 (0.46) L3MBTL1
SCHEMBL4715360 0.70 FFAR4 (0.45) ALDH1A1KMT2AL3MBTL1TDP1KDM4E

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 9 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-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-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-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

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 HCRTR2 74/4885LMNA 2721/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HCRTR2 2272/4885LMNA 4340/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HCRTR2 201/4885LMNA 1091/4885ALDH1A1 475/4885

“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.