SCHEMBL2857231

SCHEMBL2857231

C=CCOc1cc(OCC=C)c(C(=O)c2cccc(OC)c2)c(C(CC)C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FLT3 P36888 1/20 0.39
VNN1 O95497 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MTNR1B P49286 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ZAP70 P43403 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL2856160 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2858288 0.89 FLT3 (0.43) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2864983 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL2865399 0.87 VNN1 (0.36) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2861694 0.86 KDM4E (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2857059 0.86 KDM4E (0.44) ALDH1A1FLT3KDM4ENPC1RAB9A
SCHEMBL6032268 0.85 MAPT (0.49) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2861148 0.85 KDM4E (0.40) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2857454 0.85 KDM4E (0.43) ADRB2ADRB1ADRB3ALDH1A1FLT3
SCHEMBL2866520 0.84 KDM4E (0.39) ADRB2ADRB1ADRB3ALDH1A1FLT3

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 ADRB2 3046/4885ADRB1 2066/4885ADRB3 2617/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ADRB2 3046/4885ADRB1 2066/4885ADRB3 2617/4885

“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.