SCHEMBL2861241

SCHEMBL2861241

CCOc1ccc(C(=O)c2c(O)cc(O)c(CC)c2CC(=O)N(CCO)CCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 4/20 0.45
ALOX15 P16050 3/20 0.45
RECQL P46063 1/20 0.45
PARP10 Q53GL7 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 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
SCHEMBL2862377 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2856124 0.91 HPGD (0.38) ALDH1A1HPGDMAPT
SCHEMBL2862043 0.89 SLC22A12 (0.36) ALDH1A1KDM4EHPGDMAPTRECQL
SCHEMBL2860086 0.88 PARP10 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2857173 0.87 HSP90AA1 (0.35) ALDH1A1HPGDMAPT
SCHEMBL2859720 0.87 NPC1 (0.38) HPGDKMT2APOLBHCRTR2TP53
SCHEMBL2854641 0.87 LMNA (0.36) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2858220 0.86 TLR9 (0.36) HPGDMAPT
SCHEMBL2854718 0.86 POLB (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2857183 0.86 L3MBTL1 (0.37) ALDH1A1HPGDNPSR1KMT2APOLB

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 7 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 claimed
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
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885HPGD 3193/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885HPGD 3193/4885

“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.