SCHEMBL2865525

SCHEMBL2865525

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCC)cc2)c(CC(=O)N(CCOC)CCN2CCOCC2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 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
SCHEMBL2861679 0.96 CNR1 (0.39) ALDH1A1KMT2ATSHRMEN1TP53
SCHEMBL2860112 0.93 SMN1; SMN2 (0.38) KDM4EALDH1A1HSD17B10HPGDHRH3
SCHEMBL2861223 0.89 MAPT (0.43) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL2862966 0.89 CNR1 (0.40) ALDH1A1KMT2ATSHRHTTMEN1
SCHEMBL2860123 0.87 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2854727 0.86 LMNA (0.45) KDM4ESMN1; SMN2KMT2ALMNATSHR
SCHEMBL2854550 0.85 SLC5A7 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2859770 0.85 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2856174 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL2858968 0.84 KMT2A (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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 2968/4885ALDH1A1 2940/4885HSD17B10 1023/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885ALDH1A1 2940/4885HSD17B10 1023/4885

“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.