SCHEMBL24827537

SCHEMBL24827537

COc1cnc(CCC(=O)C(C)(C)C)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CYP24A1 Q07973 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRS3 P32247 2/20 0.34
▸ DAO P14920 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ TNKS O95271 1/20 0.32

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
SCHEMBL19002599 0.77 KDM4E (0.49) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL20665413 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL18997781 0.76 RECQL (0.46) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL23222270 0.74 KDM4E (0.51) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL20665627 0.72 RECQL (0.49) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL10332862 0.72 RECQL (0.49) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL20665603 0.70 RECQL (0.46) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL21776363 0.69 POLB (0.47) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL24827544 0.68 KDM4E (0.41) ALDH1A1KDM4EPOLBRECQLLMNA
SCHEMBL26669557 0.65 RECQL (0.54) ALDH1A1KDM4EPOLBRECQLLMNA

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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 — — 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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885KDM4E 4215/4885POLB 3534/4885

“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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