SCHEMBL24209194

SCHEMBL24209194

CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 10/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ TSHR P16473 1/20 0.56

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
SCHEMBL18613113 1.00 DHODH (0.66) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5969916 0.87 EPHX2 (0.51) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL29551628 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL5714269 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL18761357 0.85 HTT (0.59) ALDH1A1MEN1KMT2AHTT
SCHEMBL24804264 0.83 EPHX2 (0.60) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2463602 0.82 TAOK1 (0.55) ALDH1A1
SCHEMBL26999632 0.80 EPHX1 (0.57) ALDH1A1MEN1KMT2AHTT
SCHEMBL2406505 0.79 ALDH1A1 (0.76) DHODHL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1565743 0.79 ALDH1A1 (0.76) DHODHL3MBTL1ALDH1A1MEN1KMT2A

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-20220016106-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING HEMATOLOGICAL CANCERS THE BROAD INSTITUTE, INC. (US) 2022-01-20 — — 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-20220016106-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING HEMATOLOGICAL CANCERS DHODH, MCL1, DHX15 DHODH 1/4885L3MBTL1 667/4885ALDH1A1 27/4885

“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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