SCHEMBL3584044

SCHEMBL3584044

CCn1ccn(CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 5/20 0.38
KMT2A Q03164 1/20 0.35
LPO P22079 4/20 0.35
PLA2G10 O15496 2/20 0.35
PLA2G5 P39877 2/20 0.35
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL3584205 0.87 GSK3A (0.46) HDAC6KDM4EALDH1A1KMT2APOLB
SCHEMBL3593243 0.83 HDAC6 (0.40) HDAC6KDM4EALDH1A1FPR2KMT2A
SCHEMBL3582007 0.75 ALDH1A1 (0.39) HDAC6KDM4EALDH1A1FPR2KMT2A
SCHEMBL3581778 0.74 ALDH1A1 (0.43) KDM4EALDH1A1KMT2ALPOPOLB
SCHEMBL20967569 0.72 ALDH1A1 (0.49) HDAC6KDM4EALDH1A1KMT2APLA2G10
SCHEMBL28254025 0.72 KDM4E (0.50) HDAC6KDM4EALDH1A1KMT2APLA2G10
SCHEMBL8266056 0.71 KDM4E (0.42) HDAC6KDM4EALDH1A1FPR2KMT2A
SCHEMBL6280747 0.70 KDM4E (0.45) HDAC6KDM4EALDH1A1KMT2APOLB
SCHEMBL15030294 0.70 KDM4E (0.42) HDAC6KDM4EALDH1A1FPR2KMT2A
SCHEMBL13263679 0.70 ALPG (0.49) HDAC6KDM4EALDH1A1FPR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 HDAC6 1407/4885KDM4E 3447/4885ALDH1A1 971/4885

“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.