SCHEMBL3129055

SCHEMBL3129055

O=C(CN(c1ccc(O)cc1)C1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
LMNA P02545 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL11981341 0.83 KMT2A (0.65) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3138307 0.79 LMNA (0.67) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL8913178 0.79 ALDH1A1 (0.71) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL8916945 0.77 KMT2A (0.60) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3138761 0.76 ALDH1A1 (0.61) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL8917058 0.75 ALDH1A1 (0.65) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7933991 0.75 ALDH1A1 (0.72) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL8917255 0.75 ALDH1A1 (0.76) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3142795 0.75 ALDH1A1 (0.72) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL12315672 0.74 SMN1; SMN2 (0.66) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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 5 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

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 KMT2A 984/4885MEN1 1020/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MEN1 1851/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MEN1 3512/4885LMNA 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.