SCHEMBL4378992

SCHEMBL4378992

COCCOCCc1cc(OCOC)cc(OCOC)c1Br

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL2866529 0.91 HDAC3 (0.32) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL4381965 0.81 F2 (0.31) F2ELANE
SCHEMBL2025203 0.80 HDAC3 (0.33) ALDH1A1MAPTTDP1HDAC3HDAC4
SCHEMBL2024930 0.78 PDE4A (0.34) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL4381418 0.77 EGFR (0.36) F2ELANESMN1; SMN2HDAC3HDAC4
SCHEMBL4383787 0.76
SCHEMBL4382142 0.74 CYP19A1 (0.33)
SCHEMBL4394914 0.73 HSD17B10 (0.44) F2ELANEALDH1A1MAPTHDAC3
SCHEMBL16010033 0.73 ALDH1A1 (0.38) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL2859836 0.72 HSP90AB1 (0.35) ALDH1A1MAPTHDAC3HDAC4HDAC1

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 F2 4710/4885ELANE 3790/4885ALDH1A1 3520/4885

“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.