SCHEMBL5433128

SCHEMBL5433128

[CH2]CC(O)NCc1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM2 P08172 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DNM1 Q05193 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
SCHEMBL9416033 0.83 CASR (0.57) CASRALDH1A1CHRM2HTTSMN1; SMN2
SCHEMBL2954251 0.79 CASR (0.60) CASRALDH1A1CHRM2HTTSMN1; SMN2
SCHEMBL4249926 0.78 CASR (0.52) CASRALDH1A1CHRM2HTTSMN1; SMN2
SCHEMBL3348575 0.77 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MMP13MEN1
SCHEMBL7738530 0.77 CHRM2 (0.62) ALDH1A1CHRM2HTTSMN1; SMN2MMP13
SCHEMBL18685365 0.77 CHRM2 (0.62) ALDH1A1CHRM2HTTSMN1; SMN2MMP13
SCHEMBL27646012 0.76 DNM1 (0.58) ALDH1A1CHRM2HTTSMN1; SMN2MMP13
SCHEMBL2076794 0.75 CHRM2 (0.60) ALDH1A1CHRM2HTTSMN1; SMN2MMP13
Hydrochloric Acid SCHEMBL28327424 0.75 CHRM2 (0.60) ALDH1A1CHRM2HTTSMN1; SMN2MMP13
SCHEMBL23385049 0.75 CASR (0.52) CASRALDH1A1CHRM2HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CASR 2993/4885ALDH1A1 524/4885CHRM2 48/4885

“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.