SCHEMBL4384034

SCHEMBL4384034

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 1/20 0.32
CAPN1 P07384 2/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL4386593 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL4383935 0.81 HDAC1 (0.34) ALDH1A1KDM4EMAPTPKMPOLB
SCHEMBL4383931 0.81 HDAC1 (0.34) ALDH1A1KDM4EMAPTPKMPOLB
SCHEMBL4390372 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4387307 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4386950 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4394118 0.76 MAPT (0.34) ALDH1A1KDM4EMAPTPKMHDAC1
SCHEMBL4378198 0.76 ROR1 (0.34) BRD4CREBBPHDAC1
SCHEMBL5491747 0.75 HDAC3 (0.32) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4387636 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTPKMHSD17B10

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 ALDH1A1 3520/4885KDM4E 3223/4885MAPT 2443/4885

“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.