SCHEMBL2861148

SCHEMBL2861148

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(O)cc2)c(C(CC)C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
MGAM O43451 4/20 0.35
GAA P10253 4/20 0.35
SI P14410 4/20 0.35
MGAM2 Q2M2H8 4/20 0.35
FLT3 P36888 1/20 0.35
PTPN1 P18031 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MIF P14174 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34

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
SCHEMBL6032268 0.92 MAPT (0.49) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2858288 0.92 FLT3 (0.43) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2866520 0.91 KDM4E (0.39) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2867272 0.90 KDM4E (0.39) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2856160 0.89 ADRB2 (0.38) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2871401 0.89 MAPT (0.42) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2861694 0.89 KDM4E (0.45) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2866300 0.88 KDM4E (0.38) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2857059 0.88 KDM4E (0.44) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2856151 0.88 ADRB2 (0.39) KDM4ENPC1POLBMAPTRAB9A

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 2968/4885NPC1 1079/4885POLB 4195/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885NPC1 1079/4885POLB 4195/4885

“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.