SCHEMBL3138307

SCHEMBL3138307

O=C(CCc1ccc(O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.67
KMT2A Q03164 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MEN1 O00255 5/20 0.67
ALDH1A1 P00352 6/20 0.65
HTT P42858 4/20 0.65
POLB P06746 3/20 0.65
TSHR P16473 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPT P10636 2/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP3A4 P08684 2/20 0.59
ABCB11 O95342 1/20 0.59
CYP1A2 P05177 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59
CHRM1 P11229 1/20 0.59
TBXA2R P21731 1/20 0.59

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
SCHEMBL8924475 0.90 LMNA (0.75) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12315668 0.87 KMT2A (0.66) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12315667 0.87 LMNA (0.64) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8914869 0.84 ALDH1A1 (0.72) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9987888 0.84 ALDH1A1 (0.69) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8915591 0.84 ALDH1A1 (0.67) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3138761 0.83 ALDH1A1 (0.61) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14218026 0.82 TRPV1 (0.61) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3142795 0.82 ALDH1A1 (0.72) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7933991 0.82 ALDH1A1 (0.72) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1

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
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 LMNA 2721/4885KMT2A 984/4885SMN1; SMN2 4313/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885KMT2A 1623/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885KMT2A 2349/4885SMN1; SMN2 3077/4885

“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.