SCHEMBL3328872

SCHEMBL3328872

CC1=C(C(=O)OCC(C)C)CC2=C(CCCC2=O)N1c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR2 O60603 2/20 0.39
CASP3 P42574 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ALDH1A1 P00352 5/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3323515 0.81 MAPT (0.50) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL3328868 0.75 TLR2 (0.35) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL3265630 0.73 MAPT (0.64) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL8028141 0.64 ALDH1A1 (0.72) MAPTSMN1; SMN2KDM4EHTTKMT2A
SCHEMBL11004551 0.60 MAPT (0.68) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL718741 0.60 POLB (0.58) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL28680301 0.60 CASP3 (0.56) MAPTSMN1; SMN2KDM4EHTTRECQL
SCHEMBL9328298 0.60 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTCHRM2CHRM4
SCHEMBL28159394 0.60 POLB (0.37) MAPTKDM4EKMT2AALDH1A1TSHR
SCHEMBL28883856 0.59 ALDH1A1 (0.73) MAPTSMN1; SMN2KDM4EHTTKMT2A

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 1 patent. 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

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 MAPT 2/4885SMN1; SMN2 1086/4885KDM4E 4115/4885

“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.