SCHEMBL3328868

SCHEMBL3328868

Cc1cc(N2C=C(C(=O)OCC(C)C)CC3=C2CCCC3=O)c2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
P2RX4 Q99571 1/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL3328872 0.75 MAPT (0.50) TLR2ALDH1A1KDM4ETSHRCHRM2
SCHEMBL2738455 0.62 ALDH1A1 (0.57) TLR2ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL164015 0.59 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2PLA2G1B
SCHEMBL164016 0.59 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2PLA2G1B
SCHEMBL10793872 0.58 ALDH1A1 (0.73) ALDH1A1KDM4ETSHRSMN1; SMN2PLA2G1B
SCHEMBL25016090 0.58 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRPLA2G1BATG4B
SCHEMBL31080874 0.58 ALDH1A1 (0.67) TLR2ALDH1A1KDM4ETSHRCHRM2
SCHEMBL8028141 0.58 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRSMN1; SMN2HTT
SCHEMBL31081012 0.57 ALDH1A1 (0.56) TLR2ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL28159394 0.56 POLB (0.37) ALDH1A1KDM4ETSHRPOLBMAPT

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 TLR2 3859/4885ALDH1A1 2615/4885KDM4E 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.