SCHEMBL29953580

SCHEMBL29953580

COc1ccc(O)cc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
CAPN1 P07384 1/20 0.57
ERN1 O75460 7/20 0.56
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
TYR P14679 1/20 0.52
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
TLR6 Q9Y2C9 1/20 0.52
AOX1 Q06278 1/20 0.52
TUBB1 Q9H4B7 1/20 0.50
MAOB P27338 1/20 0.50
APP P05067 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47

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
SCHEMBL1647101 1.00 BACE1 (0.60) BACE1CAPN1ERN1ALDH1A1TDP1
SCHEMBL19792588 0.85 ERN1 (0.71) ERN1ALDH1A1KDM4EMAPT
SCHEMBL37462 0.84 ALDH1A1 (0.63) CAPN1ERN1ALDH1A1TDP1TSHR
SCHEMBL4034867 0.79 ALDH1A1 (0.51) BACE1CAPN1ERN1ALDH1A1TSHR
SCHEMBL6703981 0.79 CYP3A4 (0.44) BACE1CAPN1ERN1ALDH1A1TDP1
SCHEMBL20152991 0.78 BACE1 (0.77) BACE1CAPN1ALDH1A1TDP1KDM4E
SCHEMBL9560068 0.78 NR5A1 (0.51) ALDH1A1HPGD
SCHEMBL1662997 0.78 ALDH1A1 (0.70) ALDH1A1TDP1TSHRKDM4ETRIM24
SCHEMBL29392394 0.78 ALDH1A1 (0.71) ERN1ALDH1A1TDP1TSHRKDM4E
SCHEMBL419596 0.78 ALDH1A1 (0.57) ERN1ALDH1A1TDP1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680039-A1 COMPOSITIONS FOR REDUCING OFF NOTES AND USES THEREOF DSM-Firmenich AG (CH) 2026-01-21 EP disclosed
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS LILLY CO ELI (US) 2025-11-20 US disclosed
US-12404298-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2025-09-02 US disclosed
WO-2024251755-A1 COMPOSITIONS FOR REDUCING OFF NOTES AND USES THEREOF DSM-FIRMENICH AG (CH) 2024-12-12 WO disclosed
US-20240018182-A1 GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-01-18 US disclosed
US-11787834-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2023-10-17 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220324904-A1 GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2022-10-13 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 (5 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-12404298-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R BACE1 2495/4885CAPN1 3943/4885ERN1 1650/4885
US-20240018182-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R BACE1 2495/4885CAPN1 3943/4885ERN1 1650/4885
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R BACE1 2495/4885CAPN1 3943/4885ERN1 1650/4885
US-11787834-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R BACE1 2495/4885CAPN1 3943/4885ERN1 1650/4885
US-20220324904-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R BACE1 2495/4885CAPN1 3943/4885ERN1 1650/4885

“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.