SCHEMBL2863493

SCHEMBL2863493

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
PTPN1 P18031 3/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
ABL1 P00519 1/20 0.41
RECQL P46063 1/20 0.41
RIN1 Q13671 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL2861681 0.89 FLT3 (0.47) MAPTALDH1A1GAAPTPN1CYP2D6
SCHEMBL2862203 0.87 CYP2D6 (0.54) MAPTALDH1A1GAASLC5A1SLC5A2
SCHEMBL2859379 0.83 SLC5A1 (0.50) MAPTALDH1A1GAASLC5A1SLC5A2
SCHEMBL2859125 0.76 KDM4E (0.42) MAPTALDH1A1GAAPTPN1PKM
SCHEMBL2865673 0.74 CYP3A4 (0.54) MAPTALDH1A1GAACYP2D6CYP2C19
SCHEMBL2860448 0.74 EGFR (0.49) MAPTALDH1A1GAACYP2C19CYP3A4
SCHEMBL2866299 0.74 FLT3 (0.39) MAPTALDH1A1GAAPTPN1SLC5A1
SCHEMBL2858286 0.74 KDM4E (0.44) MAPTALDH1A1GAAPTPN1PKM
SCHEMBL2860174 0.74 FLT3 (0.43) MAPTALDH1A1GAAPTPN1PKM
SCHEMBL2859363 0.74 NPC1 (0.43) MAPTALDH1A1GAACYP2D6CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1791/4885ALDH1A1 2940/4885GAA 1593/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885ALDH1A1 2940/4885GAA 1593/4885

“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.