SCHEMBL31562367

SCHEMBL31562367

COc1cc(OCc2ccccc2)c(C=O)c(O[C@H](C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.49
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ERN1 O75460 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SMPD1 P17405 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 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 0.91 HDAC8 (0.47) HDAC8KMT2AERN1HPGDNPC1
SCHEMBL31562452 0.91 HDAC8 (0.47) HDAC8KMT2AERN1HPGDNPC1
SCHEMBL21957648 0.86 HDAC8 (0.54) HDAC8PPARGKMT2AERN1NPC1
SCHEMBL31562560 0.84 L3MBTL1 (0.49) KMT2AERN1NPC1RAB9ASMN1; SMN2
SCHEMBL28491464 0.83 HDAC8 (0.53) HDAC8PPARGPPARDPPARASMN1; SMN2
SCHEMBL29846122 0.83 HDAC8 (0.53) HDAC8PPARGPPARDPPARASMN1; SMN2
SCHEMBL15348526 0.81 ERN1 (0.63) HDAC8ERN1HPGDNPC1RAB9A
SCHEMBL31562473 0.80 HDAC8 (0.50) HDAC8KMT2AERN1HPGDNPC1
SCHEMBL31562691 0.80 ERN1 (0.65) PPARGPPARDPPARAKMT2AERN1
SCHEMBL31562706 0.79 HDAC8 (0.50) HDAC8KMT2AERN1HPGDNPC1

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 117/4885PPARG 1618/4885PPARD 2271/4885

“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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