SCHEMBL17466752

SCHEMBL17466752

C[C@@H](C[N+](=O)[O-])c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
UGT2B7 P16662 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.41
AOC3 Q16853 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL1988215 1.00 CNR1 (0.49) CNR1UGT2B7MEN1KMT2ACYP1A2
SCHEMBL6298892 0.80 ALDH1A1 (0.56) CNR1UGT2B7MEN1KMT2ACYP1A2
SCHEMBL6300038 0.80 ALDH1A1 (0.56) CNR1UGT2B7MEN1KMT2ACYP1A2
SCHEMBL1985442 0.78 NPC1 (0.51) CNR1MEN1KMT2AAOC3
SCHEMBL27862778 0.78 NPC1 (0.51) CNR1MEN1KMT2AAOC3
SCHEMBL3486501 0.78 NPC1 (0.51) CNR1MEN1KMT2AAOC3
SCHEMBL6678168 0.77 UGT2B7 (0.57) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1319593 0.75 CNR1 (0.43) CNR1UGT2B7MEN1KMT2ACYP1A2
SCHEMBL5401290 0.74 UGT2B7 (0.59) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL16684715 0.74 UGT2B7 (0.59) UGT2B7MEN1KMT2ACYP1A2CYP2D6

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 CNR1 739/4885UGT2B7 3924/4885MEN1 3293/4885

“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.