SCHEMBL20436328

SCHEMBL20436328

CCN(CC)c1cccc(C)c1-c1c(C)cccc1NC(=O)SCC(NC(=O)C(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.37
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ANPEP P15144 1/20 0.32
▸ CETP P11597 1/20 0.32

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
SCHEMBL20436302 0.78 SMN1; SMN2 (0.49) ALDH1A1MAPTMAPK1PGRSCN1A
SCHEMBL20421656 0.73 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10MAPK1SCN3A
SCHEMBL3745454 0.67 ALDH1A1 (0.49) ALDH1A1MAPTPOLBLMNAGAA
SCHEMBL20436310 0.65 NLRP3 (0.36) ALDH1A1MAPTHSD17B10MAPK1HPGD
SCHEMBL20436308 0.63 ITGB3 (0.64) ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL20436303 0.63 MGLL (0.46) ALDH1A1MAPTHPGDGAAL3MBTL1
SCHEMBL8580626 0.62 ACE (0.42) ACEALDH1A1
SCHEMBL9623845 0.62 ACE (0.42) ACEALDH1A1
SCHEMBL16559111 0.62 KDM4E (0.40) ALDH1A1HSD17B10PGRHPGDLMNA
SCHEMBL12989759 0.60 ACE (0.48) ACE

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-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — 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-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ACE 580/4885CNR2 1176/4885ALDH1A1 834/4885

“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.

Send feedback