SCHEMBL3330136

SCHEMBL3330136

CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
HSD17B10 Q99714 7/20 0.58
CASP1 P29466 7/20 0.58
CASP7 P55210 7/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 4/20 0.51
AGTR1 P30556 1/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 15/20 0.49
HPGD P15428 7/20 0.49
GLA P06280 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 3/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
BAP1 Q92560 1/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL13402789 0.92 ALDH1A1 (0.56) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3323761 0.86 KDM4E (0.62) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL13402786 0.85 ALDH1A1 (0.53) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3324919 0.85 ALDH1A1 (0.57) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3323801 0.81 ALDH1A1 (0.57) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3324836 0.81 ALDH1A1 (0.61) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL17501852 0.80 NPSR1 (0.59) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3325688 0.80 KDM4E (0.49) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL5332917 0.80 ALDH1A1 (0.61) KDM4EHSD17B10CASP1CASP7POLB
SCHEMBL3329937 0.79 ALDH1A1 (0.51) KDM4EHSD17B10CASP1CASP7POLB

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 4115/4885HSD17B10 1530/4885CASP1 2392/4885

“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.