SCHEMBL4380942

SCHEMBL4380942

CCc1c(O)cc(O)c(-c2ccccc2)c1CC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
EGFR P00533 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL4385993 0.90 L3MBTL1 (0.48) L3MBTL1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4380484 0.88 ALDH1A1 (0.42) L3MBTL1CNR2SMN1; SMN2RECQLALDH1A1
SCHEMBL4386658 0.86 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL4380714 0.86 HDAC4 (0.44) CNR2SMN1; SMN2ALDH1A1KDM4ETHRB
SCHEMBL4385012 0.85 L3MBTL1 (0.39) L3MBTL1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4384837 0.84 L3MBTL1 (0.44) L3MBTL1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4387620 0.83 L3MBTL1 (0.43) L3MBTL1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4379801 0.83 L3MBTL1 (0.43) L3MBTL1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4394063 0.82 L3MBTL1 (0.43) L3MBTL1CNR2SMN1; SMN2POLBRECQL
SCHEMBL4381992 0.82 PTPN1 (0.41) SMN1; SMN2ALDH1A1KDM4ECYP1A2NPC1

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 L3MBTL1 3218/4885CNR2 1898/4885SMN1; SMN2 4471/4885

“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.