SCHEMBL2864847

SCHEMBL2864847

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)c(OCCN3CCOCC3)c2)c(CC(=O)O)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SLC5A7 Q9GZV3 1/20 0.43
HTR2C P28335 3/20 0.42
HTR2B P41595 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.39
EGFR P00533 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2868841 0.97 LMNA (0.48) LMNATSHRSMN1; SMN2SLC5A7CYP2D6
SCHEMBL2858800 0.93 SLC5A7 (0.46) LMNATSHRSMN1; SMN2SLC5A7HTR2C
SCHEMBL2860139 0.90 LMNA (0.46) LMNATSHRSMN1; SMN2SLC5A7CYP2D6
SCHEMBL2854550 0.86 SLC5A7 (0.40) LMNATSHRSMN1; SMN2SLC5A7HTR2C
SCHEMBL2860123 0.86 LMNA (0.42) LMNATSHRSMN1; SMN2SLC5A7CYP2D6
SCHEMBL2858272 0.85 KDM4E (0.47) TSHRCYP2C9KDM4EMAPTPDE4B
SCHEMBL2861769 0.85 KDM4E (0.47) TSHRCYP2C9KDM4EMAPTPDE4B
SCHEMBL2869164 0.84 KDM4E (0.55) TSHRCYP2C9KDM4EALDH1A1PDE4B
SCHEMBL2859770 0.83 LMNA (0.40) LMNATSHRSMN1; SMN2SLC5A7CYP2D6
SCHEMBL2858968 0.82 KMT2A (0.43) LMNATSHRSMN1; SMN2CYP2D6CYP2C9

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 LMNA 4283/4885TSHR 1356/4885SMN1; SMN2 4682/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LMNA 4283/4885TSHR 1356/4885SMN1; SMN2 4682/4885

“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.