SCHEMBL4380779

SCHEMBL4380779

CCC(C(=O)OC)c1cc(OC)cc(OC(=O)OC)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 5/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL4381894 0.88 MTNR1A (0.42) TDP1L3MBTL1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL4379885 0.81 EGFR (0.40) TDP1L3MBTL1SMN1; SMN2MAPTTP53
SCHEMBL4380283 0.80 LTA4H (0.42) L3MBTL1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL4385956 0.76 KDM4E (0.40) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4385029 0.75 AKR1C3 (0.41) TDP1L3MBTL1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL4380947 0.74 CNR2 (0.42) TDP1L3MBTL1SMN1; SMN2MAPTTP53
SCHEMBL6178411 0.73 TDP1 (0.50) TDP1L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL4381588 0.73 FFAR1 (0.42) L3MBTL1LMNA
SCHEMBL4379314 0.72 RXRA (0.37) MTNR1AMTNR1BMAPTAKR1C3AKR1C2
SCHEMBL8900397 0.72 ADRA1A (0.53) TDP1L3MBTL1MTNR1AMTNR1BAKR1C3

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 TDP1 2978/4885L3MBTL1 3218/4885MTNR1A 2061/4885

“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.