SCHEMBL30188651

SCHEMBL30188651

CC(C)(C)OC(=O)Cn1cc2cc(Br)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.37
FPR2 P25090 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MCL1 Q07820 1/20 0.35
S1PR1 P21453 1/20 0.35
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL24828868 0.90 KDM4E (0.38) KDM4EALDH1A1CASP3FPR2IRAK4
SCHEMBL15447288 0.85 CASP3 (0.49) HDAC8CASP3IRAK4RAB9ANPC1
SCHEMBL22452466 0.83 S1PR1 (0.44) HDAC8KDM4EALDH1A1CASP3IRAK4
SCHEMBL23320737 0.79 HDAC8 (0.47) HDAC8KDM4EIRAK4S1PR1HDAC6
SCHEMBL30886888 0.77 HDAC8 (0.39) HDAC8PPARARAB9ANPC1
SCHEMBL29973807 0.77 S1PR1 (0.43) HDAC8ALDH1A1IRAK4RAB9ANPC1
SCHEMBL26983072 0.75 HDAC8 (0.38) HDAC8ALDH1A1IRAK4PPARARAB9A
SCHEMBL23208886 0.75 KDM4E (0.36) KDM4EALDH1A1FPR2IRAK4MCL1
SCHEMBL17141092 0.75 CASP3 (0.46) KDM4EALDH1A1CASP3IRAK4RAB9A
SCHEMBL23348633 0.74 KDM4E (0.43) HDAC8KDM4EALDH1A1FPR2RAB9A

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-20240424111-A1 Degrader Compounds and Uses Thereof CALICO LIFE SCIENCES LLC (US) 2024-12-26 US disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 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 (2 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-20240424111-A1 Degrader Compounds and Uses Thereof PTPN1, PTPN2, PTPN5 HDAC8 2682/4885KDM4E 725/4885ALDH1A1 2830/4885
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof BET1, BRD4, PHKB HDAC8 26/4885KDM4E 261/4885ALDH1A1 4054/4885

“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.