SCHEMBL31388682

SCHEMBL31388682

O=C(CCc1ccccc1)C1C(=O)OC2(CCCC2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FKBP1A P62942 1/20 0.38

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
SCHEMBL31388683 1.00 MEN1 (0.42) MEN1KMT2AKEAP1NPC1RAB9A
SCHEMBL7436508 0.84 ALDH1A1 (0.46) KMT2AKEAP1ALDH1A1TDP1FFAR1
SCHEMBL31388685 0.77 ALDH1A1 (0.41) KEAP1ALDH1A1FFAR1
SCHEMBL16174891 0.76 GLA (0.45) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL10191376 0.74 ALDH1A1 (0.50) KEAP1NPC1ALDH1A1TDP1FFAR1
SCHEMBL11730482 0.74 KEAP1 (0.53) KEAP1NPC1ALDH1A1TDP1FFAR1
SCHEMBL12290424 0.71 NPSR1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5642127 0.70 BACE1 (0.42) ALDH1A1FFAR1
SCHEMBL9869709 0.70 CASP3 (0.41) MEN1KMT2AALDH1A1LMNA
SCHEMBL31388686 0.69 SLC25A5 (0.41) ALDH1A1

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 1 patent. 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

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-20250107525-A1 CARBOXYLIC ACID-DERIVED KETO-DIESTERS AND USES THEREOF BCKDK, KYAT1, KYAT3 MEN1 4609/4885KMT2A 541/4885KEAP1 1182/4885

“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.