SCHEMBL3330252

SCHEMBL3330252

CCCOc1ccc(C2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.59
GAA P10253 7/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
NOTCH1 P46531 2/20 0.56
RAD52 P43351 1/20 0.54
ALDH1A1 P00352 8/20 0.53
HPGD P15428 5/20 0.53
CASP1 P29466 4/20 0.53
CASP7 P55210 3/20 0.53
USP2 O75604 2/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 5/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 3/20 0.52
GLA P06280 2/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.49
MCL1 Q07820 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3325478 0.88 KDM4E (0.69) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL3324995 0.88 KDM4E (0.61) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL3321253 0.87 KDM4E (0.80) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL23009202 0.83 KDM4E (0.66) KDM4EGAASMN1; SMN2NOTCH1ALDH1A1
SCHEMBL3325126 0.82 KDM4E (0.62) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL12135812 0.81 KDM4E (0.62) KDM4EGAASMN1; SMN2NOTCH1ALDH1A1
SCHEMBL3325592 0.81 KDM4E (0.56) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL3325190 0.81 KDM4E (0.68) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL3323155 0.79 NOTCH1 (0.55) KDM4EGAASMN1; SMN2NOTCH1RAD52
SCHEMBL3323113 0.79 KDM4E (0.68) KDM4EGAASMN1; SMN2ALDH1A1HPGD

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 KDM4E 4115/4885GAA 271/4885SMN1; SMN2 1086/4885

“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.