SCHEMBL2898209

SCHEMBL2898209

COC(=O)c1cccc(-c2c(C)cccc2C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
NR4A2 P43354 1/20 0.46

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
SCHEMBL563229 0.89 MYC (0.54) MYCTSHRMEN1MAPTHTT
SCHEMBL1707844 0.87 CYP3A4 (0.45) MYCTSHRMEN1MAPTHTT
SCHEMBL19849652 0.87 TSHR (0.53) MYCTSHRMEN1MAPTHTT
SCHEMBL29634134 0.87 TSHR (0.53) MYCTSHRMEN1MAPTHTT
SCHEMBL524457 0.83 LMNA (0.53) MYCTSHRMEN1MAPTKMT2A
SCHEMBL3511612 0.81 LMNA (0.59) MYCTSHRMAPTKMT2AALDH1A1
SCHEMBL28684512 0.81 PTGER1 (0.52) MYCTSHRMEN1MAPTHTT
SCHEMBL562649 0.80 CHEK1 (0.44) TSHRMEN1MAPTHTTMAPK10
SCHEMBL2907419 0.80 REN (0.47) TSHRMEN1MAPTHTTMAPK10
SCHEMBL24390974 0.80 TSHR (0.57) MYCTSHRMEN1MAPTHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
EP-2215068-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058237-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2009-05-07 WO disclosed
WO-2009058237-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2009-05-07 WO 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 (2 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-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 MYC 1916/4885TSHR 926/4885MEN1 4714/4885
US-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 MYC 703/4885TSHR 1637/4885MEN1 2027/4885

“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.