SCHEMBL2867310

SCHEMBL2867310

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ACHE P22303 2/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM3 P20309 1/20 0.42
FKBP1A P62942 2/20 0.41
CCR3 P51677 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2866392 0.91 FKBP1A (0.50) KDM4EKMT2APOLBALDH1A1FKBP1A
SCHEMBL2861836 0.90 HTT (0.47) KDM4EKMT2AALDH1A1L3MBTL3L3MBTL1
SCHEMBL2862037 0.84 SMN1; SMN2 (0.41) ACHEKMT2APOLBALDH1A1CCR3
SCHEMBL2868820 0.83 SMN1; SMN2 (0.47) KMT2APOLBALDH1A1L3MBTL1MEN1
SCHEMBL2866216 0.83 SMN1; SMN2 (0.40) CHRM2CHRM1KMT2APOLBALDH1A1
SCHEMBL2866292 0.82 GRM3 (0.42) KDM4EPOLBALDH1A1GAA
SCHEMBL2858385 0.82 MAPT (0.55) KDM4EKMT2APOLBALDH1A1MEN1
SCHEMBL2856092 0.82 SMN1; SMN2 (0.47) KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL2858179 0.82 CHRM2 (0.42) KDM4EACHECHRM2CHRM1KMT2A
SCHEMBL15225754 0.80 MAPK1 (0.50) KDM4EKMT2APOLBALDH1A1L3MBTL1

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 7 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 claimed
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 2968/4885ACHE 4876/4885CHRM2 4883/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885ACHE 4876/4885CHRM2 4883/4885

“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.