SCHEMBL3322703

SCHEMBL3322703

CC1=C(C(=O)OC2CCCC2)C(c2ccc(C)s2)C2=C(CCCC2=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 13/20 0.65
ALDH1A1 P00352 13/20 0.65
TSHR P16473 6/20 0.65
HPGD P15428 6/20 0.65
GAA P10253 4/20 0.65
TP53 P04637 3/20 0.65
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KDM4E B2RXH2 13/20 0.56
ALOX15 P16050 1/20 0.52
CASP1 P29466 4/20 0.51
NPSR1 Q6W5P4 3/20 0.48
CASP7 P55210 3/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
NOTCH1 P46531 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 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
SCHEMBL3324020 0.85 KDM4E (0.78) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3324964 0.80 ALDH1A1 (0.68) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3326240 0.79 ALDH1A1 (0.67) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3324987 0.78 ALDH1A1 (0.64) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL5333531 0.78 ALDH1A1 (0.69) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3325073 0.78 ALDH1A1 (0.68) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3321115 0.78 ALDH1A1 (0.63) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3320454 0.77 ALDH1A1 (0.65) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3323464 0.77 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRHPGDGAA
SCHEMBL3322853 0.77 ALDH1A1 (0.64) HSD17B10ALDH1A1TSHRHPGDGAA

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 HSD17B10 1530/4885ALDH1A1 2615/4885TSHR 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.