SCHEMBL31562452

SCHEMBL31562452

COC(=O)[C@@H](C)Oc1cc(OC)cc(OCc2ccccc2)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ERN1 O75460 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL31562831 1.00 HDAC8 (0.47) HDAC8LMNAL3MBTL1HTTALDH1A1
SCHEMBL31562367 0.91 HDAC8 (0.49) HDAC8LMNAL3MBTL1HTTALDH1A1
SCHEMBL31562181 0.86 L3MBTL1 (0.46) HDAC8LMNAL3MBTL1HTTALDH1A1
SCHEMBL21957648 0.84 HDAC8 (0.54) HDAC8L3MBTL1ERN1MAPTNPC1
SCHEMBL29846122 0.81 HDAC8 (0.53) HDAC8LMNAPOLBSMN1; SMN2PTPN1
SCHEMBL28491464 0.81 HDAC8 (0.53) HDAC8LMNAPOLBSMN1; SMN2PTPN1
SCHEMBL31562473 0.81 HDAC8 (0.50) HDAC8LMNAL3MBTL1HTTALDH1A1
SCHEMBL31562461 0.80 ERN1 (0.63) LMNAALDH1A1HPGDERN1KDM4E
SCHEMBL15348526 0.80 ERN1 (0.63) HDAC8LMNAL3MBTL1HPGDERN1
SCHEMBL31562872 0.79 ABCB1 (0.49) HDAC8LMNAALDH1A1HPGDKDM4E

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-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 — — US disclosed
WO-2025090658-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-05-01 — — WO 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-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF CDK2, CDK20, CDK1 HDAC8 117/4885LMNA 1059/4885L3MBTL1 996/4885

“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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