SCHEMBL3324568

SCHEMBL3324568

COc1ccc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
HSD17B10 Q99714 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 4/20 0.63
TSHR P16473 3/20 0.63
GAA P10253 2/20 0.63
TP53 P04637 2/20 0.63
LMNA P02545 1/20 0.63
NOTCH1 P46531 5/20 0.56
KDM4E B2RXH2 9/20 0.52
HTT P42858 1/20 0.52
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
CCNA1 P78396 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51

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
SCHEMBL3324803 0.99 ALDH1A1 (0.61) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3324964 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3320454 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3326112 0.83 KDM4E (0.75) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3325073 0.82 ALDH1A1 (0.68) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3321115 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3326240 0.81 ALDH1A1 (0.67) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3322853 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3323464 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10SMN1; SMN2HPGDTSHR
SCHEMBL3325493 0.80 NOTCH1 (0.70) ALDH1A1HSD17B10HPGDTSHRGAA

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 1530/4885SMN1; SMN2 1086/4885

“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.