SCHEMBL3329933

SCHEMBL3329933

COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.53
GAA P10253 6/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 4/20 0.49
USP2 O75604 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 1/20 0.49
RAD52 P43351 1/20 0.49
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.48
MAPK10 P53779 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 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
SCHEMBL5335476 0.89 ALDH1A1 (0.58) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL3323563 0.89 GAA (0.57) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL3324934 0.88 GAA (0.58) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL5333682 0.88 ALDH1A1 (0.57) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL5479741 0.87 ALDH1A1 (0.57) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL3323627 0.86 ALDH1A1 (0.55) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL5314430 0.86 NOTCH1 (0.57) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL3321247 0.86 NOTCH1 (0.55) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL3325754 0.86 NOTCH1 (0.55) NOTCH1GAAMAPTALDH1A1KDM4E
SCHEMBL23009266 0.85 NOTCH1 (0.54) NOTCH1GAAMAPTALDH1A1KDM4E

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 NOTCH1 178/4885GAA 271/4885MAPT 2/4885

“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.