SCHEMBL20436313

SCHEMBL20436313

CN(C)c1ccc2ccccc2c1-c1c(NC(=O)ON2C(=O)CCC2=O)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
NCEH1 Q6PIU2 9/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL20436321 0.86 ALDH1A1 (0.37) ALDH1A1HPGDNCEH1KDM4EMEN1
SCHEMBL20436305 0.86 ALDH1A1 (0.43) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL20441429 0.82 ALDH1A1 (0.36) ALDH1A1HPGDGAANCEH1KDM4E
SCHEMBL20436316 0.78 GAA (0.38) ALDH1A1GAATDP1MEN1MAPT
SCHEMBL4401959 0.78 ALDH1A1 (0.54) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL4125057 0.78 ALDH1A1 (0.47) ALDH1A1HPGDGAANCEH1KDM4E
SCHEMBL20436319 0.77 POLB (0.46) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL20436314 0.76 ITGB1 (0.37) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL20436311 0.76 ABCC9 (0.48) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL10030205 0.73 HPGD (0.42) ALDH1A1HPGDKDM4EMEN1MAPT

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 4 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
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 ALDH1A1 834/4885HPGD 1872/4885GAA 4303/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ALDH1A1 834/4885HPGD 1872/4885GAA 4303/4885

“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.