SCHEMBL3324008

SCHEMBL3324008

CC1=C(C(=O)OCC(C)C)C(c2ccc(Cl)cc2)C2=C(CC(c3ccc(Cl)cc3)CC2=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.61
CACNA1D Q01668 3/20 0.61
CACNA1S Q13698 3/20 0.61
CACNA1C Q13936 3/20 0.61
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 8/20 0.54
ABCC1 P33527 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
AGTR1 P30556 1/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5314821 0.90 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3330312 0.88 GAA (0.61) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3324462 0.87 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5310139 0.87 ALDH1A1 (0.57) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3325384 0.87 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3380465 0.86 GAA (0.51) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3325585 0.85 KDM4E (0.53) ALDH1A1KDM4EABCC1LMNAPOLB
SCHEMBL3325583 0.85 ALDH1A1 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3320674 0.85 GAA (0.60) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3324654 0.83 KDM4E (0.56) ALDH1A1KDM4EABCC1LMNAPOLB

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 CACNA1F 1270/4885CACNA1D 913/4885CACNA1S 1135/4885

“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.