SCHEMBL4386261

SCHEMBL4386261

COCOc1cc(CC(=O)OC)c(-c2cccc(CCC(C)=O)c2)c(OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.38
CFD P00746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 2/20 0.35
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
SYK P43405 1/20 0.34
CAPN1 P07384 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL4382160 0.89 MTNR1A (0.36) FFAR1CFDMAPTEGFRSYK
SCHEMBL4389611 0.88 FYN (0.43) FFAR1CFDFYNEGFRSYK
SCHEMBL4390340 0.83 CFD (0.38) CFDLMNACYP1A2MAPTSMN1; SMN2
SCHEMBL2866502 0.83 EGFR (0.43) CFDKDM4ENPC1CYP1A2MAPT
SCHEMBL4384140 0.81 EGFR (0.46) KDM4ENPC1TP53CYP1A2MAPT
SCHEMBL4384801 0.81 MTNR1A (0.37) KDM4ENPC1CYP3A4MAPTRAB9A
SCHEMBL4378484 0.81 FFAR4 (0.38) FFAR1KDM4EALDH1A1EGFRFFAR4
SCHEMBL4386761 0.80 EGLN1 (0.42) LMNATP53CYP1A2CYP3A4ALDH1A1
SCHEMBL4382698 0.80 EGFR (0.42) FFAR1NPC1LMNAMAPTRAB9A
SCHEMBL4379474 0.79 BACE1 (0.39) KDM4ECYP3A4MAPTSMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P FFAR1 1445/4885CFD 4686/4885KDM4E 3223/4885

“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.