SCHEMBL3325073

SCHEMBL3325073

COc1ccccc1C1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
HSD17B10 Q99714 7/20 0.68
TSHR P16473 3/20 0.68
HPGD P15428 3/20 0.68
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
GAA P10253 2/20 0.68
LMNA P02545 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.61
CASP1 P29466 3/20 0.61
CASP7 P55210 3/20 0.61
BAP1 Q92560 1/20 0.61
KDM4E B2RXH2 9/20 0.58
POLB P06746 1/20 0.56
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
NPSR1 Q6W5P4 3/20 0.53
FFAR3 O14843 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 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
SCHEMBL3326112 0.89 KDM4E (0.75) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3323579 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3323513 0.87 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL10953920 0.86 KDM4E (0.77) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3328694 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3323212 0.85 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3325678 0.84 ALDH1A1 (0.74) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3323627 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3324568 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRHPGDTP53
SCHEMBL3320927 0.82 KDM4E (0.82) ALDH1A1HSD17B10TSHRHPGDTP53

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 ALDH1A1 2615/4885HSD17B10 1530/4885TSHR 4847/4885

“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.