SCHEMBL2860085

SCHEMBL2860085

CCc1c(OCOC)cc(OCOC)c(C(=O)c2ccc(OC)c(Br)c2)c1CCOCC1COC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2859491 0.93 TSHR (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL15225835 0.91 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL2862937 0.91 HTT (0.32) ALDH1A1HPGDMAPTKMT2A
SCHEMBL2854715 0.89 L3MBTL1 (0.35) MAPT
SCHEMBL2862113 0.87 PLK4 (0.30)
SCHEMBL2868822 0.86 F10 (0.33)
SCHEMBL2869265 0.86 ADORA3 (0.32)
SCHEMBL2854767 0.86 RARG (0.32)
SCHEMBL2861263 0.86 SYK (0.36) CYP2D6CYP2C19
SCHEMBL2862969 0.82

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 ALDH1A1 2940/4885CYP1A2 1343/4885CYP2D6 1825/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885CYP1A2 1343/4885CYP2D6 1825/4885

“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.