SCHEMBL20436310

SCHEMBL20436310

CCN(CC)c1cccc(C)c1-c1c(C)cccc1NC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ GFER P55789 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL20436317 0.91 CRHR1 (0.37) NLRP3ALDH1A1MAPTLMNANPC1
SCHEMBL24404997 0.89 MAPT (0.32) NLRP3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20436314 0.87 ITGB1 (0.37) NLRP3ALDH1A1MAPTLMNAMAPK1
SCHEMBL20458582 0.83 CHRM3 (0.35) ALDH1A1MAPTLMNAL3MBTL1THRB
SCHEMBL24200370 0.79 PARP14 (0.44) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL20421656 0.78 ALDH1A1 (0.50) NLRP3ALDH1A1MAPTLMNAMAPK1
SCHEMBL4403976 0.78 ITGB1 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20436323 0.76 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL24200372 0.74 LMNA (0.34) NLRP3ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL20436324 0.74 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 — — US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — US disclosed
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 (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-11327060-B2 Method for analyzing enantiomer DCX, INF2, SRD5A2 NLRP3 3523/4885ALDH1A1 834/4885MAPT 3206/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 NLRP3 3523/4885ALDH1A1 834/4885MAPT 3206/4885

“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.

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