SCHEMBL4383935

SCHEMBL4383935

COCOc1cc(OCOC)c(-c2ccc(C=CC(=O)OC)o2)c(C(O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.34
BRD4 O60885 3/20 0.32
CREBBP Q92793 2/20 0.32
KMT2A Q03164 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 6/20 0.32
LMNA P02545 4/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 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
SCHEMBL4383931 1.00 HDAC1 (0.34) HDAC1BRD4CREBBPKMT2ASMN1; SMN2
SCHEMBL4386593 0.87 ALDH1A1 (0.35) HDAC1BRD4CREBBPSMN1; SMN2KDM4E
SCHEMBL4384034 0.81 ALDH1A1 (0.35) HDAC1BRD4CREBBPKMT2ASMN1; SMN2
SCHEMBL4384018 0.79 ALDH1A1 (0.34) HDAC1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4384014 0.79 ALDH1A1 (0.34) HDAC1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4392082 0.76 MAPT (0.34) HDAC1KMT2AALDH1A1MEN1MAPT
SCHEMBL4378198 0.75 ROR1 (0.34) HDAC1BRD4CREBBPHDAC8HDAC3
SCHEMBL4381676 0.73 MAPT (0.45) HDAC1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4381673 0.73 MAPT (0.45) HDAC1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4384171 0.72 ALDH1A1 (0.35) HDAC1SMN1; SMN2KDM4EALDH1A1LMNA

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 HDAC1 302/4885BRD4 239/4885CREBBP 275/4885

“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.