SCHEMBL26938751

SCHEMBL26938751

CC(=O)C1CN(C(=O)CCl)c2ccc(-c3ccccc3)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.40
KMT2A Q03164 3/20 0.40
SOAT2 O75908 2/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 1/20 0.40
SOAT1 P35610 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
BRD4 O60885 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
PTGIR P43119 1/20 0.38
CASP9 P55211 1/20 0.38
CASP8 Q14790 1/20 0.38
HSD17B3 P37058 1/20 0.37

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
SCHEMBL26938749 0.92 POLB (0.44) KMT2AMEN1CYP2C9BRD4SIRT1
SCHEMBL24377969 0.90 SIRT1 (0.50) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL26938745 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1
SCHEMBL26938724 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1
SCHEMBL26938740 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1
SCHEMBL26938734 0.82 CASP2 (0.47) KMT2AMEN1BRD4SIRT1POLB
SCHEMBL24378019 0.81 SIRT1 (0.48) SIRT1POLBUSP30
SCHEMBL26938816 0.79 BRD4 (0.43) KMT2AMEN1BRD4SIRT1POLB
SCHEMBL26938736 0.79 TSHR (0.38) KMT2AMEN1CYP2C9POLB
SCHEMBL26938741 0.79 TP53 (0.47) KMT2AMEN1POLB

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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 DGAT1 2284/4885KMT2A 464/4885SOAT2 3068/4885

“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.