SCHEMBL6489929

SCHEMBL6489929

COC(=O)COc1ccc2c(c1)CCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL6494628 0.89 PPARG (0.51) HRH3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL23320783 0.81 HRH3 (0.44) HRH3DRD2DRD4ALDH1A1HSD17B10
SCHEMBL23810763 0.80 MAOA (0.56) HRH3KDM4EL3MBTL1MAOAMAOB
SCHEMBL1073444 0.80 HRH3 (0.49) HRH3ALDH1A1HSD17B10HPGDMAPT
SCHEMBL14815944 0.79 HRH3 (0.49) HRH3ALDH1A1HSD17B10KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL23320781 0.77 ALOX15 (0.51) HRH3DRD2DRD4ALDH1A1HSD17B10
SCHEMBL19520635 0.77 HRH3 (0.56) HRH3DRD2DRD4ALDH1A1HSD17B10
SCHEMBL6274911 0.77 ALDH1A1 (0.47) DRD2DRD4ALDH1A1KDM4ECYP2C9
SCHEMBL24650786 0.77 MAPT (0.65) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL24528925 0.76 ALOX15 (0.64) HRH3ALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA HRH3 1490/4885DRD2 2825/4885DRD4 4107/4885

“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.