SCHEMBL2863530

SCHEMBL2863530

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 8/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
ALOX15 P16050 3/20 0.35
RECQL P46063 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
BTK Q06187 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2857171 0.91 ALDH1A1 (0.36) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2861223 0.91 MAPT (0.43) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2867177 0.88 KDM4E (0.34) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5495751 0.86 KDM4E (0.35) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2859707 0.86 ALDH1A1 (0.35) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2863296 0.86 KDM4E (0.34) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2864846 0.86 MAPT (0.46) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2861239 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDPTPN1
SCHEMBL2863062 0.84 KDM4E (0.34) KDM4E
SCHEMBL2858300 0.84 MAPT (0.47) MAPTPOLBNPC1RAB9ASMN1; SMN2

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 MAPT 1791/4885POLB 4195/4885NPC1 1079/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885POLB 4195/4885NPC1 1079/4885

“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.