SCHEMBL3131679

SCHEMBL3131679

O=C(NCc1ccc(OC2CCCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MCHR1 Q99705 1/20 0.53
FAAH O00519 4/20 0.51
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL3139016 0.79 FAAH (0.64) LMNATSHRALDH1A1FAAHMAPK1
SCHEMBL8921461 0.78 HTT (0.77) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL8913407 0.74 ALDH1A1 (0.74) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL5248151 0.73 FAAH (0.53) MEN1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL27663681 0.70 ALDH1A1 (0.70) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL5600177 0.70 MEN1 (0.67) MEN1LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL5470035 0.69 MEN1 (0.61) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL27744582 0.69 LMNA (0.66) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL2853078 0.69 KMT2A (0.70) MEN1LMNAKMT2ATSHRALDH1A1
SCHEMBL3600828 0.68 FAAH (1.00) LMNATSHRALDH1A1FAAHMAPK1

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 MEN1 1020/4885LMNA 2721/4885KMT2A 984/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885LMNA 4340/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885LMNA 1091/4885KMT2A 2349/4885

“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.