SCHEMBL2863526

SCHEMBL2863526

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCOC3CCCCO3)c(OC)c2)c(C(CC)C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDE4B Q07343 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2862941 0.97 KDM4E (0.36) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL2866511 0.85 KDM4E (0.48) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL2861264 0.83 KDM4E (0.48) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL2856154 0.82 KDM4E (0.44) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL5491554 0.82 KDM4E (0.43) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL2860142 0.81 LMNA (0.44) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL2859390 0.80 KDM4E (0.44) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL2863523 0.79 KDM4E (0.41) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL2861694 0.79 KDM4E (0.45) KDM4EMEN1KMT2APTPN1MAPT
SCHEMBL2858804 0.78 SLC5A7 (0.45) KDM4ELMNANPC1RAB9AALDH1A1

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 2968/4885LMNA 4283/4885TDP1 2886/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885LMNA 4283/4885TDP1 2886/4885

“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.