SCHEMBL23631624

SCHEMBL23631624

COC(=O)C(C)NC(=O)Cn1ccc2cc3c(cc21)OCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAS1R3 Q7RTX0 3/20 0.43
▸ TAS1R1 Q7RTX1 3/20 0.43
▸ NTSR1 P30989 7/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL23631569 0.89 NTSR1 (0.48) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL23631678 0.81 ATM (0.50) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL23631589 0.75 ALDH1A1 (0.47) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL23631612 0.75 KMT2A (0.51) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL30839297 0.72 HTR2C (0.42) KDM4ESMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL29162311 0.72 HTR2C (0.42) KDM4ESMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL29162312 0.72 HTR2C (0.42) KDM4ESMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL30839311 0.72 HTR2C (0.42) KDM4ESMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL23956074 0.67 HTR2C (0.40) CYP3A4CYP2C9
SCHEMBL23956070 0.67 HTR2C (0.40) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US disclosed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — 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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 ALDH1A1 744/4885POLB 1658/4885KDM4E 2239/4885

“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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