SCHEMBL2864624

SCHEMBL2864624

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)c(F)c2)c1CC(=O)N(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BLM P54132 1/20 0.35
SYNJ2 O15056 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL2859824 0.95 TLR9 (0.40) HTTLMNAMAPK1RAB9AACHE
SCHEMBL2869198 0.91 ACHE (0.44) MAPK1ACHEALDH1A1KDM4ECYP1A2
SCHEMBL2863190 0.91 TUBB4A (0.43) ACHEALDH1A1KDM4ECYP1A2HSP90AA1
SCHEMBL2869161 0.90 CES2 (0.34) ACHEALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL2863057 0.87 MLYCD (0.36) ALDH1A1KDM4ETLR9TLR8TLR7
SCHEMBL2863179 0.87 ACHE (0.41) MAPK1ACHEALDH1A1KDM4ECYP1A2
SCHEMBL2856143 0.86 TLR9 (0.41) ACHEALDH1A1KDM4ECYP1A2HSP90AA1
SCHEMBL2860060 0.86 TLR8 (0.45) MAPK1ACHEALDH1A1KDM4ECYP1A2
SCHEMBL2859694 0.85 ACHE (0.44) MAPK1ACHEALDH1A1KDM4ECYP1A2
SCHEMBL2856087 0.85 TLR8 (0.40) MAPK1ACHEALDH1A1KDM4ECYP1A2

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 claimed
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

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 HTT 644/4885LMNA 4283/4885MAPK1 708/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HTT 644/4885LMNA 4283/4885MAPK1 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.