SCHEMBL1260957

SCHEMBL1260957

CCC(C)(CC)C(=O)OC(=O)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL11735656 0.89 MGAM (0.39) TSHRMGAMGAASIMGAM2
SCHEMBL10517081 0.80 LDHA (0.36) FFAR3TSHRCYP2D6CYP2C19HIF1A
SCHEMBL2475483 0.74 DGAT1 (0.44) TSHRCYP2D6CYP2C19HIF1AMGAM
SCHEMBL17256455 0.72 ALDH1A1 (0.31) CYP2C19ALDH1A1
SCHEMBL7349937 0.72 FFAR3 (0.47) FFAR3TSHRLDHASRRMGAM
SCHEMBL28035891 0.71 LDHA (0.36) LDHASRRALDH1A1
SCHEMBL819956 0.71 LDHA (0.53) FFAR3TSHRLDHASRRMGAM
SCHEMBL2037331 0.70 FFAR3 (0.45) FFAR3TSHRLDHASRRMGAM
SCHEMBL11964743 0.70 CYP2C19 (0.52) FFAR3TSHRCYP2D6CYP2C19HIF1A
SCHEMBL3929483 0.70 CYP2D6 (0.35) FFAR3TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
US-4011335-A INSECTICIDES, HORMONE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 FFAR3 3351/4885TSHR 3301/4885CYP2D6 3495/4885

“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.