SCHEMBL26088630

SCHEMBL26088630

CCOC(=O)c1c(O)c2c(n(C)c1=O)CCC2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 4/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CXCR4 P61073 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL26419161 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2ATSHR
SCHEMBL29284700 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2ATSHR
SCHEMBL26088483 0.85 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL26088868 0.81 AHR (0.34) —
SCHEMBL26087011 0.81 AHR (0.34) —
SCHEMBL26088305 0.81 AHR (0.34) —
SCHEMBL29284709 0.78 ADORA1 (0.35) ALDH1A1KDM4ELMNAKMT2ATSHR
SCHEMBL26089216 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAKMT2ATSHR
SCHEMBL30255089 0.72 AHR (0.49) ALDH1A1KDM4ELMNAKMT2AHTT
SCHEMBL26089326 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAKMT2ATSHR

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 ALDH1A1 724/4885KDM4E 1656/4885LMNA 4176/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC ALDH1A1 724/4885KDM4E 1656/4885LMNA 4176/4885

“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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