SCHEMBL4379978

SCHEMBL4379978

COCOc1cc(OCOC)c(-c2ccco2)c(CCO)c1Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.33
P2RX3 P56373 1/20 0.32
ADORA1 P30542 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL4381067 0.89 PLAU (0.31) PLAUP2RX3ALDH1A1MAPT
SCHEMBL4380967 0.84 L3MBTL1 (0.36) PLAUP2RX3L3MBTL1ALDH1A1MAPT
SCHEMBL4379675 0.83 ALDH1A1 (0.39) P2RX3ADORA1L3MBTL1ALDH1A1MAPT
SCHEMBL4386891 0.80 EGFR (0.41) ALDH1A1LMNA
SCHEMBL4379960 0.79 ALDH1A1 (0.39) P2RX3L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL4382100 0.79 LMNA (0.41) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4386738 0.78 ALDH1A1 (0.38) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4385713 0.76 POLB (0.46) L3MBTL1ALDH1A1LMNAMAPTHTT
SCHEMBL4387756 0.75 ALDH1A1 (0.34) PLAUP2RX3L3MBTL1ALDH1A1LMNA
SCHEMBL4379817 0.73 EGFR (0.40) L3MBTL1LMNAMAPTSMN1; SMN2

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 PLAU 4884/4885P2RX3 2132/4885ADORA1 3228/4885

“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.