SCHEMBL30255089

SCHEMBL30255089

CCOC(=O)c1cc2c(n(C)c1=O)CC[C@H]2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.49
▸ KDM4E B2RXH2 9/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ HPGD P15428 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GLA P06280 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ BAZ2A Q9UIF9 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL26088751 0.85 AHR (0.55) AHRKDM4EALDH1A1HPGDMAPT
SCHEMBL26088845 0.81 AHR (0.57) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26088960 0.81 AHR (0.57) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26419165 0.81 AHR (0.57) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26089203 0.74 AHR (0.41) AHRKDM4EALDH1A1HPGD
SCHEMBL26419333 0.73 AHR (0.58) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26086625 0.73 AHR (0.58) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26419335 0.73 AHR (0.58) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL26086722 0.73 AHR (0.68) AHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9802691 0.73 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10GAA

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 1/4885KDM4E 1656/4885ALDH1A1 724/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885KDM4E 1656/4885ALDH1A1 724/4885

“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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