SCHEMBL4383946

SCHEMBL4383946

COCOc1cc(OCOC)cc(C(C(=O)OC)c2ccc(C=O)o2)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
STAT1 P42224 1/20 0.32
GRM5 P41594 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL4386272 0.87 MAPT (0.33) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL4396532 0.86 MIF (0.32) MAPTKMT2A
SCHEMBL4379090 0.82 KDM4E (0.32) ALDH1A1KDM4ENPC1MAPTRAB9A
Diethylamine SCHEMBL4386992 0.81 GRM5 (0.32) KDM4EHPGDGRM5KMT2A
SCHEMBL4379025 0.81 TDP1 (0.32) NPC1RAB9AHSP90AA1GRM5
SCHEMBL5491759 0.80 ALDH1A1 (0.31) ALDH1A1NPC1MAPTRAB9AHSP90AA1
SCHEMBL4382503 0.78 MTNR1A (0.37) ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL4392101 0.77
SCHEMBL4382075 0.77 GAA (0.38) ALDH1A1KDM4EMAPTPOLBGRM5
SCHEMBL4387310 0.76 PPARG (0.35) ALDH1A1KDM4ESMN1; SMN2KMT2A

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 3223/4885NPC1 1090/4885

“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.