SCHEMBL13763232

SCHEMBL13763232

O=[N+]([O-])c1ccccc1C(O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 1/20 0.44

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
SCHEMBL26696331 0.84 MAPT (0.40) MAPTKMT2AMEN1NPSR1NPC1
SCHEMBL8213938 0.81 MAPT (0.67) MAPTKMT2AMEN1GAACYP1A2
SCHEMBL506668 0.81 CYP1A2 (0.58) KMT2AMEN1CYP1A2TDP1ALDH1A1
SCHEMBL26696336 0.80 MET (0.55) MAPTKMT2AMEN1POLBGAA
SCHEMBL13763316 0.79 GAA (0.51) MAPTKMT2AMEN1NPSR1POLB
SCHEMBL15111049 0.76 ALDH1A1 (0.61) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL1849779 0.74 NPC1 (0.51) MAPTKMT2AMEN1GAANPC1
SCHEMBL28915757 0.73 CLK1 (0.43) MAPTKMT2AMEN1NPSR1POLB
SCHEMBL3697952 0.72 CYP1A2 (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL31633570 0.72 CYP1A2 (0.56) MAPTKMT2AMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791262-B2 Asymmetric friedel-crafts alkylations catalyzed by bifunctional cinchona alkaloids BRANDEIS UNIVERSITY (US) 2014-07-29 US disclosed
US-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids BRANDEIS UNIVERSITY 2009-08-13 US disclosed
WO-2007064861-A2 ASYMMETRIC FRIEDEL-CRAFTS ALKYLATIONS CATALYZED BY BYFUNCTIONAL CINCHONA ALKALOIDS BRANDEIS UNIVERSITY (US) 2007-06-07 WO 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-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids COASY, AANAT, PCNA MAPT 4575/4885KMT2A 195/4885MEN1 1883/4885

“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.