SCHEMBL2858252

SCHEMBL2858252

CCc1c(CC(=O)OC)cc(OCOC)cc1OCOC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRM5 P41594 2/20 0.32
HMGCR P04035 1/20 0.32
LMNA P02545 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
SCHEMBL2859836 0.82 HSP90AB1 (0.35) BACE1ALDH1A1MEN1KMT2AHSP90AB1
SCHEMBL2862910 0.80 FLT3 (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4386207 0.79 LTB4R (0.34) ALDH1A1KDM4EMAPTCYP3A4CYP2D6
SCHEMBL5451065 0.78 ALDH1A1 (0.48) BACE1ALDH1A1MEN1KMT2AHSP90AB1
SCHEMBL2866362 0.78 DHODH (0.32) ALDH1A1MAPTCYP3A4CYP2D6CYP2C9
SCHEMBL27634760 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSP90AB1KDM4E
SCHEMBL4381103 0.78 MTNR1A (0.45) ALDH1A1MEN1KMT2AHPGDHDAC8
SCHEMBL2863612 0.78 TNFRSF1A (0.32) HDAC8
SCHEMBL2866502 0.76 EGFR (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4390545 0.76 ROR1 (0.43) BACE1ALDH1A1KDM4EHPGDHSD17B10

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 9 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
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
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
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (3 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 BACE1 3963/4885ALDH1A1 2940/4885MEN1 4773/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P BACE1 3963/4885ALDH1A1 2940/4885MEN1 4773/4885
US-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P BACE1 3031/4885ALDH1A1 3520/4885MEN1 4784/4885

“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.