SCHEMBL2858286

SCHEMBL2858286

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
FLT3 P36888 1/20 0.43
PKM P14618 1/20 0.40
AKR1C3 P42330 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL2858300 0.93 MAPT (0.47) KDM4EALDH1A1HPGDKMT2ANPC1
SCHEMBL2861144 0.90 KDM4E (0.42) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL2856371 0.90 KDM4E (0.45) KDM4EFLT3PKMAKR1C3ALDH1A1
SCHEMBL2871399 0.90 KDM4E (0.39) KDM4EFLT3ALDH1A1HPGDKMT2A
SCHEMBL2866517 0.89 KDM4E (0.41) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL2859038 0.89 KDM4E (0.40) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL2856163 0.89 KDM4E (0.38) KDM4EFLT3PKMMEN1KMT2A
SCHEMBL2856148 0.89 SMN1; SMN2 (0.39) KDM4EAKR1C3MEN1KMT2ANPC1
SCHEMBL2857228 0.89 KDM4E (0.39) KDM4EFLT3ALDH1A1GAAHPGD
SCHEMBL2859968 0.88 KDM4E (0.54) KDM4EALDH1A1GAAMEN1KMT2A

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 2968/4885FLT3 1075/4885PKM 4298/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885FLT3 1075/4885PKM 4298/4885

“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.