SCHEMBL24621995

SCHEMBL24621995

CC(C)C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(N(C)C)cc2[Si](C)(C)c2cc(N(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ FTO Q9C0B1 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL31580150 0.89 HPGD (0.45) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL13662232 0.86 MAPT (0.47) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL16865784 0.81 TDP1 (0.56) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL30335042 0.81 TDP1 (0.56) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL18680082 0.78 CYP3A4 (0.53) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL23753349 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL31430664 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL23753327 0.76 HPGD (0.41) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL31430683 0.76 HPGD (0.41) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL16745253 0.74 HPGD (0.48) ALDH1A1CYP3A4HPGDTDP1HIF1A

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-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-07-14 — — 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-20220220373-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LPL, LIPA ALDH1A1 846/4885CYP3A4 1300/4885HPGD 3548/4885

“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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