SCHEMBL4392073

SCHEMBL4392073

COCOc1cc(OCOC)c(-c2ccc(/C=C/C(C)=O)o2)c(CC(=O)OC)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.32
BLM P54132 1/20 0.32
BACE1 P56817 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
FDPS P14324 1/20 0.31
KDM4E B2RXH2 3/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 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
SCHEMBL4392077 1.00 MAPT (0.35) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4381362 0.92 FDPS (0.32) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4381365 0.92 FDPS (0.32) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4384159 0.88 ALDH1A1 (0.37) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL4394113 0.82 MAPT (0.33) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4392354 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4392360 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4388730 0.81 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4379675 0.77 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4381375 0.75 HSP90AB1 (0.39) MAPTALDH1A1MEN1KMT2ABACE1

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 3520/4885MEN1 4784/4885

“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.