SCHEMBL20436317

SCHEMBL20436317

CCCN(CCC)c1cccc(C)c1-c1c(C)cccc1NC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 5/20 0.37
▸ NLRP3 Q96P20 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 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
SCHEMBL20458582 0.92 CHRM3 (0.35) CRHR1L3MBTL1MAPTTHRBITGB1
SCHEMBL20436310 0.91 NLRP3 (0.36) NLRP3L3MBTL1MAPTTHRBITGB1
SCHEMBL20436314 0.85 ITGB1 (0.37) NLRP3L3MBTL1MAPTTHRBITGB1
SCHEMBL24404997 0.81 MAPT (0.32) NLRP3L3MBTL1MAPTLMNANPSR1
SCHEMBL20436321 0.78 ALDH1A1 (0.37) CRHR1L3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL24200370 0.77 PARP14 (0.44) L3MBTL1MAPTTHRBITGB1ITGA4
SCHEMBL4403976 0.76 ITGB1 (0.55) L3MBTL1MAPTITGB1ITGA4ALDH1A1
SCHEMBL24200372 0.75 LMNA (0.34) NLRP3L3MBTL1MAPTTHRBITGB1
SCHEMBL20436323 0.74 MAPT (0.49) L3MBTL1MAPTLMNANPSR1ALDH1A1
SCHEMBL20436324 0.72 ALDH1A1 (0.47) L3MBTL1MAPTLMNANPSR1ALDH1A1

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 5 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
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
EP-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 — — EP 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 CRHR1 1323/4885NLRP3 3523/4885L3MBTL1 2085/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 CRHR1 1323/4885NLRP3 3523/4885L3MBTL1 2085/4885

“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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