SCHEMBL2859376

SCHEMBL2859376

COCOc1cc(OCOC)cc(C(C(=O)OC)C(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.38

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
SCHEMBL15665536 0.80 CA1 (0.52) SLC2A1CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL6031757 0.80 SLC2A1 (0.43) SLC2A1CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL15225519 0.78 ADRB2 (0.42) SLC2A1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL388412 0.76 RAB9A (0.46) CA1CA2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4378281 0.75 MAPT (0.39) ALDH1A1LMNAMEN1GAACYP2C9
SCHEMBL28776229 0.75 RAB9A (0.55) CA1CA2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3098048 0.75 NPSR1 (0.52) CA1CA2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3094287 0.74 HPGD (0.57) ALDH1A1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL3093681 0.73 KMT2A (0.49) CA1CA2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27629894 0.72 FFAR1 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SLC2A1 3525/4885CA1 4815/4885CA2 3354/4885

“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.