SCHEMBL17870478

SCHEMBL17870478

C=CCCNC(=O)CNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ABCC4 O15439 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
DDAH1 O94760 1/20 0.30
EPHX2 P34913 2/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL2524544 0.84
SCHEMBL17884297 0.79 ALDH1A1 (0.46) MAPTABCC4ALDH1A1TSHRSMN1; SMN2
SCHEMBL22856074 0.76 MAPT (0.46) MAPTABCC4ALDH1A1TSHRSMN1; SMN2
SCHEMBL28179346 0.76
SCHEMBL3176010 0.75 MAPT (0.47) MAPTABCC4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6848895 0.74
SCHEMBL5466809 0.74
SCHEMBL1344230 0.74
SCHEMBL28273001 0.74
SCHEMBL14125419 0.73 ALDH1A1 (0.63) MAPTABCC4ALDH1A1TSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-20 US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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 (2 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX MAPT 794/4885ABCC4 4769/4885ALDH1A1 4444/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX MAPT 794/4885ABCC4 4769/4885ALDH1A1 4444/4885

“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.