SCHEMBL4379280

SCHEMBL4379280

CCc1cc(Br)c(OCOC)cc1OCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR2A P28223 2/20 0.33
LMNA P02545 1/20 0.33
HTR2C P28335 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 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
SCHEMBL15980584 0.93 HTR2A (0.40) MAPTTAAR1HTR2ALMNAHTR2C
SCHEMBL15980355 0.82 HTR2A (0.39) MAPTTAAR1KDM4EALDH1A1HTR2A
SCHEMBL25693736 0.79 LMNA (0.33) MAPTTAAR1KDM4EALDH1A1HTR2A
SCHEMBL1853345 0.79 LMNA (0.45) MAPTKDM4EALDH1A1LMNATSHR
SCHEMBL5569933 0.76 PTGDR2 (0.45) KDM4EALDH1A1LMNATSHR
SCHEMBL4474987 0.76 HTR2A (0.53) TAAR1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL31167218 0.76 ALDH1A1 (0.34) MAPTTAAR1KDM4EALDH1A1HTR2A
SCHEMBL18768221 0.76 LMNA (0.40) TAAR1KDM4EALDH1A1LMNATSHR
SCHEMBL23326296 0.75 LMNA (0.52) MAPTTAAR1HTR2ALMNAHTR2C
SCHEMBL29775469 0.75 LMNA (0.52) MAPTTAAR1HTR2ALMNAHTR2C

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 2443/4885P2RX3 2132/4885P2RX2 2237/4885

“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.