SCHEMBL2129488

SCHEMBL2129488

Cc1ccc(OC(=O)C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.42
PTK2B Q14289 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28891242 0.94 LMNA (0.55) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL8998925 0.84 LMNA (0.64) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL8998922 0.84 LMNA (0.64) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL8166082 0.84 LMNA (0.64) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL39792 0.80 THRB (0.59) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL8858845 0.79 KMT2A (0.46) GAAKMT2AHTTMEN1TDP1
SCHEMBL28711842 0.78 LMNA (0.57) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL27701665 0.78 THRB (0.58) LMNAALDH1A1GAAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL19749007 0.78 THRB (0.58) LMNAALDH1A1GAAKMT2ACYP1A2
SCHEMBL27464290 0.78 LMNA (0.57) LMNAALDH1A1GAAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-24 US disclosed
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-05-09 US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 US disclosed
US-8513180-B2 Ethanol-free perfume oil microemulsion SYMRISE AG (DE) 2013-08-20 US disclosed
US-20120101020-A1 ETHANOL-FREE PERFUME OIL MICROEMULSION SYMRISE AG (DE) 2012-04-26 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 (3 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-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 LMNA 1554/4885ALDH1A1 1311/4885GAA 685/4885
US-20120101020-A1 ETHANOL-FREE PERFUME OIL MICROEMULSION FFAR2, FFAR3, FFAR1 LMNA 4328/4885ALDH1A1 226/4885GAA 3892/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 LMNA 1554/4885ALDH1A1 1311/4885GAA 685/4885

“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.