SCHEMBL4381890

SCHEMBL4381890

CCc1c(OC(=O)OC)cc(OC(=O)OC)c(-c2cccc(OC)c2)c1CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B1 P14061 1/20 0.40
FPR1 P21462 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ESR1 P03372 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
VDR P11473 1/20 0.38

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
SCHEMBL4392454 0.86 ADORA3 (0.40) TSHRHSD17B1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4380774 0.85 HPGD (0.39) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4385025 0.83 TSHR (0.44) TSHRHSD17B1SMN1; SMN2KDM4EUSP2
SCHEMBL4395183 0.83 SMN1; SMN2 (0.38) HSD17B1FPR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4380714 0.79 HDAC4 (0.44) TSHRHSD17B1SMN1; SMN2KDM4EUSP2
SCHEMBL4385012 0.78 L3MBTL1 (0.39) SMN1; SMN2KDM4EUSP2ALDH1A1HPGD
SCHEMBL4379307 0.78 TSHR (0.38) TSHRHSD17B1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4386523 0.78 RXRA (0.40) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4384177 0.73 CNR2 (0.35) ALDH1A1HPGDHSD17B10MEN1MAPT
SCHEMBL4384143 0.73 KDM4E (0.36) KDM4EHPGDHSD17B10PPARGPPARD

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 TSHR 487/4885HSD17B1 682/4885FPR1 2193/4885

“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.