SCHEMBL3320564

SCHEMBL3320564

CC1=C(C(=O)OC2CCCC2)C(c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.70
ALDH1A1 P00352 9/20 0.69
KDM4E B2RXH2 9/20 0.69
NPSR1 Q6W5P4 5/20 0.69
TP53 P04637 2/20 0.69
HSD17B10 Q99714 5/20 0.68
TSHR P16473 4/20 0.68
CCNA2 P20248 1/20 0.63
CDK2 P24941 1/20 0.63
PSEN1 P49768 1/20 0.63
PSEN2 P49810 1/20 0.63
CCNA1 P78396 1/20 0.63
APH1B Q8WW43 1/20 0.63
NCSTN Q92542 1/20 0.63
APH1A Q96BI3 1/20 0.63
PSENEN Q9NZ42 1/20 0.63
GSK3B P49841 1/20 0.52
GSK3A P49840 1/20 0.52
GAA P10253 6/20 0.52
HPGD P15428 4/20 0.52

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
SCHEMBL3325647 0.88 ALDH1A1 (0.71) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL3325897 0.85 KDM4E (0.68) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL16854539 0.85 NOTCH1 (0.79) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL3322525 0.82 NOTCH1 (1.00) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL3323573 0.82 KDM4E (0.73) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL16854567 0.81 NOTCH1 (0.81) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL16854538 0.81 NOTCH1 (0.81) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL15756097 0.80 NOTCH1 (0.73) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL3325137 0.80 NOTCH1 (0.76) NOTCH1ALDH1A1KDM4ENPSR1TP53
SCHEMBL15538182 0.80 NOTCH1 (0.79) NOTCH1ALDH1A1KDM4ENPSR1TP53

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 2 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

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 178/4885ALDH1A1 2615/4885KDM4E 4115/4885

“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.