SCHEMBL2860174

SCHEMBL2860174

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CC(=O)OC)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
AKR1C3 P42330 2/20 0.39
VNN1 O95497 2/20 0.37
NPC1 O15118 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 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
SCHEMBL2858286 0.87 KDM4E (0.44) FLT3KDM4EALDH1A1GAAMEN1
SCHEMBL2859821 0.86 AKR1C3 (0.41) ALDH1A1GAAMEN1HPGDKMT2A
SCHEMBL2861681 0.81 FLT3 (0.47) FLT3KDM4EALDH1A1GAAMEN1
SCHEMBL2858300 0.80 MAPT (0.47) KDM4EALDH1A1HPGDKMT2ANPC1
SCHEMBL2859125 0.78 KDM4E (0.42) FLT3KDM4EALDH1A1GAAMEN1
SCHEMBL2871399 0.78 KDM4E (0.39) FLT3KDM4EALDH1A1HPGDKMT2A
SCHEMBL2861144 0.77 KDM4E (0.42) KDM4EALDH1A1GAANPC1POLB
SCHEMBL2856371 0.77 KDM4E (0.45) FLT3KDM4EALDH1A1GAAHPGD
SCHEMBL2856163 0.77 KDM4E (0.38) FLT3KDM4EMEN1KMT2APKM
SCHEMBL2856148 0.77 SMN1; SMN2 (0.39) KDM4EMEN1KMT2AAKR1C3VNN1

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 FLT3 1075/4885KDM4E 2968/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P FLT3 1075/4885KDM4E 2968/4885ALDH1A1 2940/4885

“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.