SCHEMBL4396537

SCHEMBL4396537

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1Cc1nc(CO)co1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.38
PIN1 Q13526 1/20 0.36
RHEB Q15382 1/20 0.35
CDK1 P06493 5/20 0.35
CCNB1 P14635 5/20 0.35
GSK3B P49841 5/20 0.35
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL4392076 0.83 PTGER1 (0.46) PTGER1
SCHEMBL4382835 0.76 CYP4F2 (0.43) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4384028 0.76 NOTUM (0.42) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4388883 0.74 MAOB (0.37) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4383171 0.72 PTGER1 (0.48) PTGER1
SCHEMBL4384766 0.71 HMGCR (0.41) PTGER1CDK1CCNB1GSK3BCDK5
SCHEMBL4385645 0.70 MAPK14 (0.41) PTGER1CDK1CCNB1
SCHEMBL4380795 0.70 FAAH (0.38) GSK3BCDK5CDK5R1
SCHEMBL4380278 0.70 HPGD (0.42) PTGER1
SCHEMBL4384794 0.68 PLA2G2A (0.41) PTGER1

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 PTGER1 3751/4885PIN1 1602/4885RHEB 1784/4885

“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.