SCHEMBL23631678

SCHEMBL23631678

COC(=O)Cn1ccc2cc3c(cc21)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ POLB P06746 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ TFPI2 P48307 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL23631612 0.83 KMT2A (0.51) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL23631624 0.81 ALDH1A1 (0.49) KMT2AALDH1A1POLBL3MBTL1LMNA
SCHEMBL14487798 0.79 ATM (0.52) ATMKMT2AALDH1A1POLBLMNA
SCHEMBL23631589 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL23631569 0.78 NTSR1 (0.48) KMT2AALDH1A1POLBL3MBTL1LMNA
SCHEMBL5449877 0.74 ATM (0.57) ATMKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL9200019 0.74 MTNR1A (0.60) ATMALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL19674140 0.74 ATM (0.57) ATMKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL21810428 0.73 NTSR1 (0.57) ATM
SCHEMBL21810438 0.73 KDM4E (0.48) ATMALDH1A1POLBLMNASMN1; SMN2

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 ATM 2137/4885MEN1 3026/4885KMT2A 2005/4885

“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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