SCHEMBL2860112

SCHEMBL2860112

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
PDGFRB P09619 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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 0.93 CNR1 (0.39) ALDH1A1KMT2A
SCHEMBL2865525 0.93 KDM4E (0.39) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL2859707 0.87 ALDH1A1 (0.35) SMN1; SMN2MAPTRAB9AALDH1A1KDM4E
SCHEMBL2862966 0.86 CNR1 (0.40) ALDH1A1KMT2A
SCHEMBL2860123 0.84 LMNA (0.42) SMN1; SMN2RAB9AALDH1A1KDM4ENPC1
SCHEMBL2860212 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9AALDH1A1KDM4E
SCHEMBL2854727 0.84 LMNA (0.45) SMN1; SMN2RAB9AKDM4ENPC1LMNA
SCHEMBL2854550 0.82 SLC5A7 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL2859770 0.82 LMNA (0.40) SMN1; SMN2RAB9AALDH1A1KDM4ENPC1
SCHEMBL2857171 0.82 ALDH1A1 (0.36) SMN1; SMN2MAPTRAB9AALDH1A1KDM4E

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 SMN1; SMN2 4682/4885MAPT 1791/4885RAB9A 1598/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 4682/4885MAPT 1791/4885RAB9A 1598/4885

“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.