SCHEMBL2860094

SCHEMBL2860094

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(C)CCOC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HSP90AA1 P07900 1/20 0.37
DRD2 P14416 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SLC22A12 Q96S37 4/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 2/20 0.36
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
UTS2R Q9UKP6 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
SCHEMBL2866409 0.90 SIGMAR1 (0.38) SIGMAR1HSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL27813702 0.88 SLC22A12 (0.37) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2869153 0.88 TLR9 (0.37) HSP90AA1CYP3A4CYP2D6CYP2C19GAA
Hydrochloric Acid SCHEMBL2861699 0.87 ALDH1A1 (0.37) GAAMAPTSLC22A12TSHRSMN1; SMN2
SCHEMBL2858220 0.87 TLR9 (0.36) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2862959 0.87 PTGS2 (0.42) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2858764 0.86 ESR1 (0.37) HPGDGAASLC22A12TSHRSMN1; SMN2
SCHEMBL2866280 0.85 TLR9 (0.35) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2862030 0.85 MCHR1 (0.38) HSP90AA1CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2859698 0.84 ESR1 (0.37) HPGDGAASLC22A12TSHRUTS2R

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 7 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
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 SIGMAR1 435/4885HSP90AA1 4/4885DRD2 4562/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SIGMAR1 435/4885HSP90AA1 4/4885DRD2 4562/4885

“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.