SCHEMBL3139016

SCHEMBL3139016

O=C(NCc1ccc(O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.62
MAPK1 P28482 1/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 3/20 0.60
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL8921461 0.90 HTT (0.77) FAAHTSHRLMNAHTTMAPK1
SCHEMBL8913407 0.85 ALDH1A1 (0.74) FAAHTSHRLMNAHTTMAPK1
SCHEMBL3138307 0.81 LMNA (0.67) TSHRLMNAHTTMAPK1KDM4E
SCHEMBL27663681 0.80 ALDH1A1 (0.70) FAAHTSHRLMNAHTTMAPK1
SCHEMBL5600177 0.80 MEN1 (0.67) LMNAHTTGAAKDM4EALDH1A1
SCHEMBL3138761 0.80 ALDH1A1 (0.61) FAAHTSHRLMNAHTTMAPK1
SCHEMBL5470035 0.80 MEN1 (0.61) TSHRLMNAMAPK1GAACA1
SCHEMBL27744585 0.80 KMT2A (0.58) FAAHTSHRLMNAHTTKDM4E
SCHEMBL3131679 0.79 MEN1 (0.53) FAAHTSHRLMNAHTTMAPK1
SCHEMBL2853078 0.79 KMT2A (0.70) FAAHTSHRLMNAHTTKDM4E

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-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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP 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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 FAAH 2018/4885TSHR 1585/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 FAAH 1015/4885TSHR 2239/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 FAAH 2289/4885TSHR 743/4885LMNA 1091/4885

“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.