SCHEMBL3323175

SCHEMBL3323175

CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 13/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 2/20 0.51
USP2 O75604 2/20 0.51
RAB9A P51151 1/20 0.51
CASP1 P29466 7/20 0.51
HPGD P15428 5/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP7 P55210 6/20 0.50
HSD17B10 Q99714 5/20 0.50

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
SCHEMBL13333412 0.92 KDM4E (0.55) ALDH1A1KDM4EPOLBSMN1; SMN2TP53
SCHEMBL3324953 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBSMN1; SMN2TP53
SCHEMBL3323110 0.89 KDM4E (0.64) ALDH1A1TSHRKDM4EPOLBTP53
SCHEMBL3330007 0.88 KDM4E (0.54) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL3326694 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2TP53
SCHEMBL3326475 0.85 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL3323171 0.85 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL3323801 0.85 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL3327953 0.85 KDM4E (0.56) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL5479523 0.83 KDM4E (0.56) ALDH1A1TSHRKDM4EPOLBSMN1; SMN2

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 1 patent. 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

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 ALDH1A1 2615/4885TSHR 4847/4885KDM4E 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.