SCHEMBL25914484

SCHEMBL25914484

CC(S)CCCCOCCCCNC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.36
▸ EPHX2 P34913 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALDH1A2 O94788 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ MAPT P10636 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
SCHEMBL21105998 0.87 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL21107012 0.84 KMT2A (0.46) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL25542425 0.83 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL26407117 0.83 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL22799828 0.81 DPP7 (0.50) KMT2AMEN1DPP7EPHX2MAPT
SCHEMBL25654212 0.81 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL13668152 0.81 KMT2A (0.57) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL23945209 0.80 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL23806922 0.80 EPHX2 (0.46) KMT2AMEN1DPP7EPHX2GNAI3
SCHEMBL25831517 0.80 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 — — 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 KMT2A 1513/4885MEN1 3175/4885CYP2D6 2818/4885

“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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