SCHEMBL2866517

SCHEMBL2866517

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(F)cc2)c(CC(=O)OC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LSS P48449 2/20 0.35
LIG1 P18858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE10A Q9Y233 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL2861144 0.90 KDM4E (0.42) KDM4EMAPTALDH1A1LIG1SMN1; SMN2
SCHEMBL2858286 0.89 KDM4E (0.44) KDM4ECNR2MAPTALDH1A1SMN1; SMN2
SCHEMBL2859038 0.89 KDM4E (0.40) KDM4ECA9ALDH1A1LIG1SMN1; SMN2
SCHEMBL2858300 0.88 MAPT (0.47) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2857450 0.88 KDM4E (0.46) KDM4EMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL2856163 0.87 KDM4E (0.38) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2856148 0.87 SMN1; SMN2 (0.39) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2859968 0.86 KDM4E (0.54) KDM4ECA12CA9ALDH1A1GAA
SCHEMBL2871399 0.86 KDM4E (0.39) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2861686 0.85 KDM4E (0.47) KDM4EALDH1A1RAB9APOLBGAA

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 6 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-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 KDM4E 2968/4885CA12 4853/4885CA9 4237/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885CA12 4853/4885CA9 4237/4885

“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.