SCHEMBL4392407

SCHEMBL4392407

CCc1c(O)cc(O)c(-c2ccccc2)c1CCOCC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
USP2 O75604 1/20 0.35
GCGR P47871 1/20 0.35
CNR2 P34972 1/20 0.35
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP7 Q93009 2/20 0.33
TSHR P16473 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
SCHEMBL4382891 0.93 USP2 (0.40) CYP1A2AGTR1LMNAESR1ESR2
SCHEMBL4383767 0.92 ESR1 (0.35) ESR1ESR2GCGRCNR2PDE4B
SCHEMBL4387012 0.90 ESR1 (0.39) CYP1A2AGTR1LMNAESR1ESR2
SCHEMBL4382721 0.88 USP7 (0.36) CYP1A2AGTR1LMNAESR1ESR2
SCHEMBL4388631 0.87 TSHR (0.46) CYP1A2AGTR1LMNAGCGRCNR2
SCHEMBL4388418 0.86 TSHR (0.40) CYP1A2AGTR1LMNAUSP2GCGR
SCHEMBL4386674 0.85 ESR1 (0.39) CYP1A2ESR1ESR2GCGRCNR2
SCHEMBL4385929 0.83 KCNK3 (0.42) POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4377963 0.82 CNR2 (0.39) ESR1ESR2GCGRCNR2PDE4B
SCHEMBL4379845 0.82 HSD17B1 (0.38) CYP1A2POLBSMN1; SMN2KDM4EUSP7

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 CYP1A2 1290/4885AGTR1 376/4885LMNA 4706/4885

“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.