SCHEMBL20436302

SCHEMBL20436302

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ANPEP P15144 2/20 0.40
▸ PGR P06401 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ITGB3 P05106 1/20 0.36
▸ ITGB1 P05556 1/20 0.36

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
SCHEMBL20421656 0.81 ALDH1A1 (0.50) LMNAALDH1A1KDM4EHPGDSCN3A
SCHEMBL20436328 0.78 ACE (0.37) LMNAALDH1A1POLBHPGDANPEP
SCHEMBL20335118 0.76 LMNA (0.69) SMN1; SMN2LMNAALDH1A1POLBKDM4E
SCHEMBL20335119 0.76 LMNA (0.69) SMN1; SMN2LMNAALDH1A1POLBKDM4E
SCHEMBL20436310 0.71 NLRP3 (0.36) SMN1; SMN2LMNAALDH1A1POLBKDM4E
SCHEMBL20436308 0.70 ITGB3 (0.64) ALDH1A1MAPK1GAAMEN1KMT2A
SCHEMBL20436303 0.69 MGLL (0.46) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL29771178 0.66 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL28779256 0.66 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL29955508 0.66 SMN1; SMN2 (0.66) SMN1; SMN2LMNAALDH1A1POLBKDM4E

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 SMN1; SMN2 3041/4885LMNA 1873/4885ALDH1A1 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.

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