SCHEMBL12646396

SCHEMBL12646396

CCOC(=O)COc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.63
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ GAA P10253 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ESR1 P03372 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ALDH2 P05091 1/20 0.47
▸ ATM Q13315 1/20 0.46

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
SCHEMBL7037153 0.87 PTPN1 (0.62) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL5386249 0.84 MAPT (0.74) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL9267668 0.84 GAA (0.70) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL12646397 0.83 ALOX15 (0.59) MAPTALDH1A1PPARGPPARANPC1
Alcohol SCHEMBL28230448 0.81 GAA (0.61) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL14539085 0.81 NPC1 (0.61) MAPTKDM4EHPGDALDH1A1TP53
SCHEMBL377638 0.81 GAA (0.65) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL12646476 0.80 GAA (0.64) PTPN1MAPTKDM4EHPGDHSD17B10
Bromide SCHEMBL1858718 0.79 GAA (0.63) PTPN1MAPTKDM4EHPGDHSD17B10
SCHEMBL11815554 0.79 GAA (0.72) PTPN1MAPTKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 — — 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 PTPN1 3249/4885MAPT 3437/4885KDM4E 2568/4885

“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.

Send feedback