SCHEMBL12417032

SCHEMBL12417032

O=[N+]([O-])c1ccc(COO)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.66
AKR1C3 P42330 1/20 0.62
TSHR P16473 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAOB P27338 1/20 0.53
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48

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
Bicarbonate SCHEMBL7693242 0.94 IDO1 (0.59) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL37463 0.83 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL37664 0.80 HTR2A (0.62) IDO1AKR1C3TSHRALDH1A1MAOB
SCHEMBL3131240 0.80 IDO1 (0.61) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL21820808 0.80 TSHR (0.63) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL23091915 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL21753899 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL293414 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1
SCHEMBL4016592 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2835398-B1 ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE ROHM & HAAS (US) 2016-01-13 EP claimed
CN-111675620-A Method for catalytic oxidation of toluene and derivatives thereof by metalloporphyrin 浙江工业大学 2020-09-18 CN disclosed
EP-2835398-B1 ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE ROHM & HAAS (US) 2016-01-13 EP disclosed
EP-2835398-A1 One pot biocatalytic peroxide mediated cure Rohm and Haas Company (US) 2015-02-11 EP disclosed
US-8309733-B2 Imino derivatives, methods for producing the same and insecticides containing the same Meji Seika Pharma Co., Ltd. (JP) 2012-11-13 US disclosed
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA, LTD. (JP) 2011-07-14 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-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME CNOT9, CBR1, CBR3 IDO1 1002/4885AKR1C3 270/4885TSHR 109/4885

“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.