SCHEMBL17589053

SCHEMBL17589053

CC[C@]1(c2ccccc2)OC(=O)C[C@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.42
MAOA P21397 14/20 0.42
MAOB P27338 14/20 0.42
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL17523288 0.78 KDM1A (0.42) KDM1AMAOAMAOBTSHRGAA
SCHEMBL17523290 0.78 KDM1A (0.42) KDM1AMAOAMAOBTSHRGAA
SCHEMBL10748346 0.75 KDM1A (0.46) KDM1AMAOAMAOBTSHRKMT2A
SCHEMBL9644214 0.74 NFKB1 (0.40) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL17732414 0.73 GAA (0.52) MEN1CYP1A2TSHRKMT2AGAA
SCHEMBL17589052 0.73 GAA (0.52) MEN1CYP1A2TSHRKMT2AGAA
SCHEMBL17583802 0.73 GAA (0.52) MEN1CYP1A2TSHRKMT2AGAA
SCHEMBL16056849 0.71 KDM1A (0.37) KDM1AMAOAMAOBTSHRKMT2A
SCHEMBL17525850 0.71 KDM1A (0.37) KDM1AMAOAMAOBTSHRKMT2A
SCHEMBL16066005 0.71 KDM1A (0.37) KDM1AMAOAMAOBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334297-B2 Chiral imidazolium salts for asymmetric catalysis NORTHWESTERN UNIVERSITY (US) 2016-05-10 US disclosed
US-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NATIONAL SCIENCE FOUNDATION 2016-03-17 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-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NDC1, NUDC, NIT2 KDM1A 3071/4885MAOA 1103/4885MAOB 1034/4885

“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.