SCHEMBL3328694

SCHEMBL3328694

CC1=C(C(=O)OC2CCCCC2)C(c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
HSD17B10 Q99714 7/20 0.65
HPGD P15428 4/20 0.65
TSHR P16473 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 2/20 0.65
NOTCH1 P46531 4/20 0.53
KDM4E B2RXH2 8/20 0.51
NPSR1 Q6W5P4 3/20 0.51
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
BAP1 Q92560 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
CCNA1 P78396 1/20 0.46

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
SCHEMBL3325073 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3323513 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3323212 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3323579 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3320327 0.81 SMN1; SMN2 (0.58) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3325993 0.79 SMN1; SMN2 (0.60) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3324964 0.78 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3326112 0.77 KDM4E (0.75) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3324020 0.77 KDM4E (0.78) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL3326240 0.77 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2

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 1530/4885HPGD 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.