SCHEMBL20043031

SCHEMBL20043031

CN(C(=O)OCc1ccccc1)C1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CDC25B P30305 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ELANE P08246 1/20 0.43
CTRB1 P17538 1/20 0.41
ABCB1 P08183 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
HPGD P15428 1/20 0.41
PTPN1 P18031 3/20 0.40
CES1 P23141 1/20 0.40
MITF O75030 1/20 0.40
NSD2 O96028 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17240686 0.78 MAOA (0.53) MAOAMAOBCDC25BALDH1A1MAPT
SCHEMBL27558112 0.74 CHRNB2 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15689615 0.73 MAOB (0.61) MAOAMAOBCDC25BALDH1A1MAPT
SCHEMBL8276259 0.72 ABCB1 (0.56) ALDH1A1MAPTLMNAELANEABCB1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.71 ALDH1A1 (0.62) ALDH1A1MAPTLMNAABCB1HPGD
Benzyl Dimethylcarbamate SCHEMBL14031385 0.71 ALDH1A1 (0.62) ALDH1A1MAPTLMNAABCB1HPGD
Benzyl Dimethylcarbamate SCHEMBL20401678 0.71 ALDH1A1 (0.62) ALDH1A1MAPTLMNAABCB1HPGD
SCHEMBL7694380 0.71 ALDH1A1 (0.62) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL16467969 0.70 ALDH1A1 (0.56) CDC25BALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16440493 0.70 ALDH1A1 (0.56) CDC25BALDH1A1MAPTNPC1RAB9A

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-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-04-12 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-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF NES, CBR3, SQOR MAOA 2602/4885MAOB 1789/4885CDC25B 809/4885

“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.