SCHEMBL20202831

SCHEMBL20202831

Cc1c(C(C)(C)C)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.55
▸ MEN1 O00255 9/20 0.55
▸ KMT2A Q03164 9/20 0.55
▸ GAA P10253 8/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ USP2 O75604 7/20 0.55
▸ MAPT P10636 7/20 0.55
▸ HPGD P15428 7/20 0.55
▸ HSD17B10 Q99714 7/20 0.55
▸ CASP1 P29466 6/20 0.55
▸ CASP7 P55210 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ GLA P06280 5/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ ATM Q13315 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ NFE2L2 Q16236 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55

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
SCHEMBL17914323 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL4387130 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL2561903 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL17716517 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL14458535 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL12153732 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL12879922 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL17948543 0.78 MEN1 (0.53) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL9557230 0.78 KMT2A (0.57) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL29787036 0.78 KMT2A (0.78) ALDH1A1MEN1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods THE UNIVERSITY OF CHICAGO (US) 2019-09-17 — — US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 — — US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 — — 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 (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-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods DNPEP, PTMS, CTH ALDH1A1 1197/4885MEN1 1884/4885KMT2A 3156/4885
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH ALDH1A1 1197/4885MEN1 1884/4885KMT2A 3156/4885

“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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