SCHEMBL3380465

SCHEMBL3380465

CCOc1ccccc1C1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)CC(c1ccc(Cl)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
CACNA1F O60840 2/20 0.49
CACNA1D Q01668 2/20 0.49
CACNA1S Q13698 2/20 0.49
CACNA1C Q13936 2/20 0.49
KDM4E B2RXH2 6/20 0.48
TP53 P04637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 2/20 0.48

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
SCHEMBL3320674 0.94 GAA (0.60) GAANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5310139 0.91 ALDH1A1 (0.57) GAANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3326126 0.87 GAA (0.63) GAANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3330312 0.87 GAA (0.61) GAAALDH1A1USP2MAPK1RAB9A
SCHEMBL3324008 0.86 CACNA1F (0.61) GAANPSR1ALDH1A1USP2MAPK1
SCHEMBL5314821 0.81 CACNA1F (0.51) GAANPSR1ALDH1A1USP2MAPK1
SCHEMBL5334201 0.81 ALDH1A1 (0.54) GAANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5337018 0.81 ALDH1A1 (0.53) GAANPSR1ALDH1A1USP2MAPK1
SCHEMBL3325492 0.81 KDM4E (0.56) GAANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3324462 0.80 CACNA1F (0.50) NPSR1ALDH1A1USP2MAPK1RAB9A

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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 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-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 GAA 271/4885NPSR1 3203/4885CYP1A2 2214/4885

“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.