SCHEMBL6596540

SCHEMBL6596540

Cc1c(-c2cc3cc(C4CCNCC4)ccc3o2)oc(=O)c(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
HTR2C P28335 2/20 0.36
S1PR1 P21453 3/20 0.36
TLR9 Q9NR96 4/20 0.35
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 3/20 0.35
MAPKAPK2 P49137 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
F12 P00748 1/20 0.32

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
SCHEMBL6591440 0.81 DRD2 (0.42) SLC6A3
SCHEMBL6593518 0.77 ESR1 (0.50) KDM4EMAOBMAOA
SCHEMBL7199499 0.76 SLC6A2 (0.43) KDM4ESLC6A2SLC6A4SLC6A3F12
SCHEMBL6592579 0.75 FLT3 (0.44) ACHEKDM4ECHRM2CHRM4CHRM5
SCHEMBL6590945 0.74 DRD2 (0.43) SLC6A3
SCHEMBL6597257 0.73 KDM4E (0.50) KDM4EMAOBMAOA
SCHEMBL6589075 0.73 KDM4E (0.50) KDM4EMAOB
SCHEMBL6594401 0.73 APP (0.48) ACHEKDM4E
SCHEMBL6592885 0.73 CHRM2 (0.42) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL6595885 0.73 TP53 (0.46) ACHEKDM4EMAOBMAOA

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
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 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 (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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 QDPR 1994/4885TBK1 3097/4885HTR2C 2749/4885

“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.