SCHEMBL4386225

SCHEMBL4386225

CCc1c(O)cc(O)c(-c2cccc(OCc3ccncc3)c2)c1CCOCC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.36
CYP27B1 O15528 1/20 0.35
CYP24A1 Q07973 1/20 0.35
MAPK1 P28482 4/20 0.35
TSHR P16473 2/20 0.35
PDE4B Q07343 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ABCB1 P08183 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP11B1 P15538 1/20 0.33
ALOX5 P09917 1/20 0.33
CSF1R P07333 1/20 0.32
ROCK1 Q13464 2/20 0.32
ROCK2 O75116 1/20 0.32
DYRK3 O43781 1/20 0.32
PRKACA P17612 1/20 0.32

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
SCHEMBL4385972 0.91 GPR132 (0.43) GPR132
SCHEMBL4388418 0.87 TSHR (0.40) MAPK1TSHRPIK3CGSMN1; SMN2LMNA
SCHEMBL4382193 0.87 GPR132 (0.37) GPR132MAPK1TSHRABCB1PIK3CG
SCHEMBL4388631 0.84 TSHR (0.46) MAPK1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL4387012 0.83 ESR1 (0.39) MAPK1TSHRLMNA
SCHEMBL4384087 0.82 CHEK1 (0.36) MAPK1TSHRPIK3CGHTTMEN1
SCHEMBL4392407 0.79 CYP1A2 (0.36) MAPK1TSHRPDE4BSMN1; SMN2LMNA
SCHEMBL4382721 0.79 USP7 (0.36) MAPK1TSHRPIK3CGSMN1; SMN2LMNA
SCHEMBL4394865 0.78 ALDH1A1 (0.41) MAPK1TSHRSMN1; SMN2HTTMEN1
SCHEMBL4384950 0.76 POLB (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P GPR132 2144/4885CYP27B1 2369/4885CYP24A1 2401/4885

“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.