SCHEMBL1707844

SCHEMBL1707844

COC(=O)c1cccc(-c2c(C)cc(O)cc2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42

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
SCHEMBL2898209 0.87 MYC (0.54) TSHRLMNAMAPTMEN1HTT
SCHEMBL4304084 0.85 TSHR (0.51) CYP3A4TSHRMAPTMEN1MAPK10
SCHEMBL12640975 0.84 CA12 (0.49) CYP3A4ACHETSHRLMNAMAPT
SCHEMBL19849652 0.82 TSHR (0.53) TSHRLMNAMAPTMEN1HTT
SCHEMBL29634134 0.82 TSHR (0.53) TSHRLMNAMAPTMEN1HTT
SCHEMBL562649 0.81 CHEK1 (0.44) TSHRLMNAMAPTMEN1HTT
SCHEMBL17385781 0.79 MAPT (0.40) CYP3A4ACHETSHRLMNAMAPT
SCHEMBL17386114 0.78 SLC22A6 (0.41) CYP3A4ACHETSHRLMNAMAPT
SCHEMBL2907419 0.78 REN (0.47) TSHRMAPTMEN1HTTMAPK10
SCHEMBL2911775 0.78 PDCD1 (0.38) TSHRLMNAMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 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-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 CYP3A4 2582/4885ACHE 4096/4885TSHR 1060/4885
US-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 CYP3A4 1449/4885ACHE 3656/4885TSHR 1637/4885
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R CYP3A4 3789/4885ACHE 4666/4885TSHR 637/4885

“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.