SCHEMBL4392012

SCHEMBL4392012

CC(=O)CCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
IAPP P10997 1/20 0.39
CNR2 P34972 2/20 0.36
IKBKB O14920 1/20 0.35
HTT P42858 1/20 0.35
GPR35 Q9HC97 1/20 0.35
CNR1 P21554 1/20 0.34
GLA P06280 1/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PDE4B Q07343 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
GFER P55789 1/20 0.33
HDAC1 Q13547 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HSP90B1 P14625 1/20 0.33

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
SCHEMBL4381538 0.85 CNR2 (0.38) MAPTALDH1A1CNR2HTTCNR1
SCHEMBL4383736 0.85 PTPN1 (0.43) ALDH1A1L3MBTL1CNR2GLAPDE4B
SCHEMBL4386433 0.80 BACE1 (0.39) ALDH1A1CNR2HTTPDE4BPDE4A
SCHEMBL4394868 0.80 TYR (0.39) MAPTALDH1A1CNR2HTTPDE4B
SCHEMBL4392444 0.79 PLA2G2A (0.41) MAPTALDH1A1CNR2HTTKDM4E
SCHEMBL4380223 0.79 SMN1; SMN2 (0.42) MAPTALDH1A1CNR2HTTGLA
SCHEMBL4386929 0.78 TAAR1 (0.40) MAPTALDH1A1L3MBTL1PDE4BKDM4E
SCHEMBL4392259 0.78 HTR2A (0.41)
SCHEMBL4381978 0.78 PDE4B (0.40) CNR2HTTPDE4BPDE4APDE4C
SCHEMBL4391995 0.78 BACE1 (0.37) ALDH1A1CNR2HTTPDE4BKDM4E

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 MAPT 2443/4885ALDH1A1 3520/4885L3MBTL1 3218/4885

“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.