SCHEMBL3321115

SCHEMBL3321115

CC1=C(C(=O)OC2CCCC2)C(c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
HSD17B10 Q99714 5/20 0.63
GAA P10253 4/20 0.63
HPGD P15428 4/20 0.63
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
NOTCH1 P46531 5/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 9/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
CCNA1 P78396 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52

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
SCHEMBL3320454 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3323464 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3322853 0.85 ALDH1A1 (0.64) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3324964 0.84 ALDH1A1 (0.68) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3326240 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3324803 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3389479 0.83 KDM4E (0.69) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL3324568 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10GAAHPGDTSHR
SCHEMBL7101463 0.79 ABCC9 (0.64) ALDH1A1HSD17B10GAAHPGDKDM4E
SCHEMBL3322703 0.78 HSD17B10 (0.65) ALDH1A1HSD17B10GAAHPGDTSHR

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 1530/4885GAA 271/4885

“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.