SCHEMBL2854657

SCHEMBL2854657

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PARP10 Q53GL7 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
HSD11B1 P28845 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 2/20 0.39
APP P05067 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15225754 0.84 MAPK1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2858385 0.83 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL2856092 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL2866392 0.82 FKBP1A (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2864940 0.80 MAPT (0.48) ALDH1A1KMT2ALMNATSHR
SCHEMBL2866451 0.79 DRD3 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL2862037 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2859704 0.79 SLC6A7 (0.53) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL2863214 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL2868820 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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 2940/4885OPRM1 3959/4885OPRD1 3446/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885OPRM1 3959/4885OPRD1 3446/4885

“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.