SCHEMBL8916206

SCHEMBL8916206

CN1CCC(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ALDH1A1 P00352 5/20 0.64
LMNA P02545 5/20 0.64
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KDM4E B2RXH2 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
HTT P42858 1/20 0.64
POLB P06746 3/20 0.59
MAPT P10636 3/20 0.59
CYP3A4 P08684 2/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL8916375 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8919342 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8917304 0.84 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8916945 0.83 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL14496689 0.82 CACNA2D1 (0.44) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8917255 0.81 ALDH1A1 (0.76) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL12315676 0.81 TDP1 (0.54) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2056152 0.79 KDM4E (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8914869 0.79 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8917058 0.79 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1LMNATSHR

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 10 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-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 KMT2A 984/4885MEN1 1020/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MEN1 1851/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MEN1 3512/4885ALDH1A1 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.