SCHEMBL4389481

SCHEMBL4389481

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
HSD17B2 P37059 4/20 0.38
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ACLY P53396 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4381155 0.88 SIGMAR1 (0.40) SIGMAR1HSD17B2HDAC4HDAC8MTNR1A
SCHEMBL4380682 0.82 SIGMAR1 (0.40) SIGMAR1HSD17B2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL4393899 0.80 L3MBTL1 (0.36) ALDH1A1CYP2D6KDM4EUSP2HSD17B10
SCHEMBL4380714 0.80 HDAC4 (0.44) HDAC4HDAC8SMN1; SMN2ALDH1A1ACLY
SCHEMBL4385019 0.80 HDAC4 (0.43) HDAC4HDAC8SMN1; SMN2ACLYHPGD
SCHEMBL2860094 0.77 SIGMAR1 (0.37) SIGMAR1SMN1; SMN2BCHEACHETSHR
SCHEMBL4388187 0.76 HDAC4 (0.39) HDAC4HDAC8SMN1; SMN2ALDH1A1ACLY
SCHEMBL4380801 0.75 KDM4E (0.38) SIGMAR1KDM4E
SCHEMBL4381042 0.75 SIGMAR1 (0.40) SIGMAR1HSD17B2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL4384445 0.74 HDAC4 (0.43) HDAC4HDAC8ACLYTSHR

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 SIGMAR1 458/4885HSD17B2 935/4885HDAC4 985/4885

“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.