SCHEMBL3323799

SCHEMBL3323799

CC1=C(C(=O)OC(C)C)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.56
ALDH1A1 P00352 11/20 0.56
HPGD P15428 5/20 0.56
GAA P10253 5/20 0.56
HSD17B10 Q99714 5/20 0.56
CASP1 P29466 4/20 0.56
CASP7 P55210 4/20 0.56
GLA P06280 2/20 0.56
TSHR P16473 3/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 3/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.48
AGTR1 P30556 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL23008940 0.94 KDM4E (0.58) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5331931 0.90 KDM4E (0.72) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3324525 0.90 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3324832 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5331875 0.88 HSD17B10 (0.69) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL14508415 0.88 KDM4E (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3329935 0.87 ALOX15 (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3326692 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3323418 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3323171 0.84 ALDH1A1 (0.52) KDM4EALDH1A1HPGDGAAHSD17B10

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 4115/4885ALDH1A1 2615/4885HPGD 265/4885

“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.