SCHEMBL7436508

SCHEMBL7436508

CC1(C)OC(=O)C(C(=O)CCc2ccccc2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KEAP1 Q14145 1/20 0.44
FFAR1 O14842 1/20 0.42
BACE1 P56817 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12290424 0.87 NPSR1 (0.41) ALDH1A1BACE1TDP1KMT2A
SCHEMBL5642127 0.85 BACE1 (0.42) ALDH1A1FFAR1BACE1
SCHEMBL9869709 0.85 CASP3 (0.41) ALDH1A1HDAC2HDAC8HDAC6L3MBTL1
SCHEMBL31388683 0.84 MEN1 (0.42) ALDH1A1KEAP1FFAR1TDP1KMT2A
SCHEMBL31388682 0.84 MEN1 (0.42) ALDH1A1KEAP1FFAR1TDP1KMT2A
SCHEMBL31388685 0.83 ALDH1A1 (0.41) ALDH1A1KEAP1FFAR1GAAL3MBTL1
SCHEMBL3945233 0.83 GLA (0.62) ALDH1A1FFAR1KMT2A
SCHEMBL5639921 0.82 BACE1 (0.61) FFAR1BACE1HDAC8
SCHEMBL3951320 0.82 GLA (0.47) HDAC6KMT2A
SCHEMBL3941852 0.78 MTNR1A (0.44) TDP1

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-20250107525-A1 CARBOXYLIC ACID-DERIVED KETO-DIESTERS AND USES THEREOF UNIVERSITY OF MISSISSIPPI 2025-04-03 US disclosed
US-20210387960-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2021-12-16 US disclosed
WO-2018140738-A1 NRF 2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 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 (2 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-20210387960-A1 NRF2 ACTIVATOR NFE2L2, NFE2, KEAP1 ALDH1A1 823/4885KEAP1 3/4885FFAR1 1671/4885
US-20250107525-A1 CARBOXYLIC ACID-DERIVED KETO-DIESTERS AND USES THEREOF BCKDK, KYAT1, KYAT3 ALDH1A1 438/4885KEAP1 1182/4885FFAR1 267/4885

“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.