SCHEMBL3329935

SCHEMBL3329935

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2Cl)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 9/20 0.47
HPGD P15428 7/20 0.47
HSD17B10 Q99714 6/20 0.47
GAA P10253 5/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
GLA P06280 4/20 0.46
TSHR P16473 5/20 0.45
USP2 O75604 3/20 0.43
TP53 P04637 2/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL5227040 0.88 KDM4E (0.47) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3323799 0.87 KDM4E (0.56) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3329937 0.86 ALDH1A1 (0.51) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3324832 0.85 ALDH1A1 (0.49) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7981102 0.82 HSD17B10 (0.64) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3325492 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL3323418 0.82 KDM4E (0.57) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23008940 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7979577 0.81 KDM4E (0.62) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3323108 0.80 ALDH1A1 (0.51) ALOX15KDM4EALDH1A1HPGDHSD17B10

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 ALOX15 3689/4885KDM4E 4115/4885ALDH1A1 2615/4885

“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.