SCHEMBL4380975

SCHEMBL4380975

COCOc1cc(OCOC)c(-c2ccco2)c(C(Br)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ROR1 Q01973 1/20 0.34
POLB P06746 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 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
SCHEMBL4379685 0.90 L3MBTL1 (0.37) P2RX3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4385952 0.83 EGFR (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4382066 0.76 ALDH1A1 (0.36) P2RX3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4389131 0.74 EGFR (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2859932 0.71 ALDH1A1 (0.41) ROR1POLBKMT2AMAPTRAB9A
SCHEMBL4380967 0.71 L3MBTL1 (0.36) P2RX3POLBL3MBTL1TDP1CTDSP1
SCHEMBL4384171 0.71 ALDH1A1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4394917 0.70 FFAR1 (0.38) PPARGKMT2AMEN1EGFRFFAR1
SCHEMBL4394118 0.69 MAPT (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4386781 0.68 EGFR (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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 P2RX3 2132/4885HDAC3 325/4885HDAC4 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.