SCHEMBL8913818

SCHEMBL8913818

CN1CCCN(Cc2ccc3c(c2)OCO3)C1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.58
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8916066 0.82 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2KMT2AMAPT
SCHEMBL27920869 0.77 SMN1; SMN2 (0.57) CMA1ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL8925245 0.76 DRD3 (0.54) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8914746 0.76 CMA1 (0.46) CMA1ALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL8912484 0.76 CMA1 (0.55) CMA1ALDH1A1HSD17B10GAATSHR
SCHEMBL8913952 0.74 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL29348950 0.74 HSD11B1 (0.42) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL17221774 0.74 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL13504002 0.73 L3MBTL1 (0.54) CMA1ALDH1A1TSHRKMT2AMAPT
SCHEMBL8915807 0.72 CHKA (0.59) ALDH1A1HSD17B10KMT2AKDM4EMEN1

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 CMA1 1423/4885ALDH1A1 565/4885HSD17B10 1452/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CMA1 1140/4885ALDH1A1 265/4885HSD17B10 1295/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CMA1 580/4885ALDH1A1 475/4885HSD17B10 801/4885

“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.