SCHEMBL26089203

SCHEMBL26089203

CCC1CCc2c1cc(C(=O)OC)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.41
▸ GABRG2 P18507 5/20 0.40
▸ GABRB3 P28472 5/20 0.40
▸ GABRA3 P34903 5/20 0.40
▸ GABRA1 P14867 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GABRA2 P47869 4/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ CRBN Q96SW2 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL26088322 0.85 AHR (0.43) AHRALDH1A1KDM4E
SCHEMBL26088751 0.83 AHR (0.55) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26086678 0.80 AHR (0.41) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26089343 0.76 AHR (0.53) AHR
SCHEMBL26419372 0.76 AHR (0.53) AHR
SCHEMBL26419367 0.76 AHR (0.53) AHR
SCHEMBL30255089 0.74 AHR (0.49) AHRALDH1A1HPGDKDM4E
SCHEMBL26088719 0.73 KDM4E (0.39) ALDH1A1CRBNKDM4EGRIA1GRIA2
SCHEMBL13990928 0.71 CNR2 (0.47) AHRGABRG2GABRB3GABRA3GABRA1
SCHEMBL26088020 0.68 AHR (0.62) AHRGABRG2GABRB3GABRA3GABRA1

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
EP-4402126-A1 AHR AGONISTS Eli Lilly and Company (US) 2024-07-24 — — EP disclosed
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
CN-118215654-A AHR agonists 伊莱利利公司 2024-06-18 — — CN disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — US disclosed
WO-2023039278-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2023-03-16 — — WO 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-12037322-B2 AHR agonists AHR, ARNT, RORC AHR 1/4885GABRG2 925/4885GABRB3 847/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885GABRG2 925/4885GABRB3 847/4885

“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.

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