SCHEMBL2860086

SCHEMBL2860086

CCc1c(O)cc(O)c(C(=O)c2ccc(OC(C)C)cc2)c1CC(=O)N(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
TSPO P30536 2/20 0.38
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MBTPS1 Q14703 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
SRD5A2 P31213 1/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32

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
SCHEMBL2861718 0.94 TSPO (0.35) PARP10TSPOKMT2APOLBMAPT
SCHEMBL2854641 0.91 LMNA (0.36) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL2861241 0.88 ALDH1A1 (0.45) PARP10KMT2APOLBMAPTNPSR1
SCHEMBL2856124 0.88 HPGD (0.38) MAPTALDH1A1HPGDGAA
SCHEMBL2862043 0.86 SLC22A12 (0.36) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL2861690 0.86 LMNA (0.35) KMT2APOLBMAPTNPSR1ALOX15
SCHEMBL2859720 0.84 NPC1 (0.38) KMT2APOLBTP53HPGD
SCHEMBL2857173 0.84 HSP90AA1 (0.35) MAPTALDH1A1HPGDGAA
SCHEMBL2858220 0.84 TLR9 (0.36) MAPTHPGDGAA
SCHEMBL2854718 0.84 POLB (0.42) TSPOKMT2APOLBMAPTNPSR1

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 PARP10 2170/4885TSPO 526/4885KMT2A 3681/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PARP10 2170/4885TSPO 526/4885KMT2A 3681/4885

“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.