SCHEMBL8912484

SCHEMBL8912484

CN1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 5/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8918960 0.78 HPGD (0.51) CMA1HPGDTSHRSMN1; SMN2KMT2A
SCHEMBL2056152 0.77 KDM4E (0.62) TSHRSMN1; SMN2KMT2AALDH1A1HSD17B10
SCHEMBL21600775 0.76 F10 (0.38) LMNA
SCHEMBL8913818 0.76 CMA1 (0.58) CMA1HPGDTSHRSMN1; SMN2KMT2A
SCHEMBL15858059 0.75 LMNA (0.51) TSHRSMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL15858005 0.74 ALDH1A1 (0.53) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL26548227 0.74 LMNA (0.56) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL14047746 0.73 KMT2A (0.58) KMT2APKMALDH1A1POLBLMNA
SCHEMBL12361201 0.73 L3MBTL1 (0.54) HPGDTSHRKMT2APOLBTP53
SCHEMBL6855238 0.72 CMA1 (0.57) CMA1HPGDTSHRSMN1; SMN2KMT2A

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 1423/4885HPGD 2527/4885TSHR 1585/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CMA1 1140/4885HPGD 733/4885TSHR 2239/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CMA1 580/4885HPGD 1282/4885TSHR 743/4885

“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.