SCHEMBL4380419

SCHEMBL4380419

O=C(O[C@H]1OC(Cc2c(I)c(OCc3ccccc3)cc(OCc3ccccc3)c2-c2ccccc2)O[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
PTGER4 P35408 5/20 0.37
PTGER3 P43115 5/20 0.37
PTGER2 P43116 5/20 0.37
CYP2C9 P11712 1/20 0.36
MCL1 Q07820 1/20 0.35
NT5E P21589 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
FFAR1 O14842 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
SCHEMBL4388100 0.84 GSK3B (0.34) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL4381514 0.74 CA9 (0.40) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL4381082 0.72 CA9 (0.40) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL4380949 0.72 PTGER1 (0.46) PTGER1CYP2C9KMT2AMRGPRX4
SCHEMBL4379396 0.72 PTGER1 (0.46) PTGER1CYP2C9KMT2AMRGPRX4
SCHEMBL4381387 0.71 MAPK14 (0.35) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL4381854 0.71 CDK5 (0.36) TDP1
SCHEMBL4385084 0.71 MAPK14 (0.35) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL4384038 0.71 MAPK14 (0.35) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL4378114 0.70 KDM4E (0.39) PTGER1CYP2C9MRGPRX4

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 3751/4885RXRA 1665/4885RXRB 1596/4885

“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.