SCHEMBL2858968

SCHEMBL2858968

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)c(OC)c2)c(CC(=O)N(CCO)CCN2CCOCC2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2862966 0.92 CNR1 (0.40) KMT2AMEN1TSHRALDH1A1HTT
SCHEMBL2859770 0.92 LMNA (0.40) KMT2AMEN1MAPK1CYP2D6CYP2C9
SCHEMBL2854550 0.92 SLC5A7 (0.40) KMT2AMEN1MAPK1CYP2D6CYP2C9
SCHEMBL2860123 0.88 LMNA (0.42) KMT2AMEN1MAPK1CYP2D6CYP2C9
SCHEMBL2854727 0.88 LMNA (0.45) KMT2AMEN1CYP2D6CYP2C9TLR9
SCHEMBL2861679 0.85 CNR1 (0.39) KMT2AMEN1CYP2D6CYP2C9TSHR
SCHEMBL2861636 0.85 KDM4E (0.45) MAPK1CYP2C9TLR9TLR8TLR7
SCHEMBL2865525 0.84 KDM4E (0.39) KMT2AMEN1KDM4ELMNATSHR
SCHEMBL2861239 0.83 KDM4E (0.42) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL2864847 0.82 LMNA (0.44) CYP2D6CYP2C9TLR9TLR8TLR7

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 KMT2A 3681/4885MEN1 4773/4885MAPK1 708/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KMT2A 3681/4885MEN1 4773/4885MAPK1 708/4885

“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.