SCHEMBL3591763

SCHEMBL3591763

CCn1cc(C)n(CC(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 2/20 0.36
ABCC4 O15439 1/20 0.36
PTGS1 P23219 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL3576407 0.86 POLB (0.46) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL3591122 0.78 APEX1 (0.44) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL24666582 0.72 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL30004036 0.70 APEX1 (0.52) KDM4EALDH1A1APEX1LMNAKMT2A
SCHEMBL3581778 0.69 ALDH1A1 (0.43) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL3582007 0.68 ALDH1A1 (0.39) KDM4EALDH1A1POLBKMT2A
SCHEMBL21900263 0.68 CDK9 (0.44) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL14968971 0.68 LMNA (0.46) KDM4EALDH1A1APEX1LMNAMEN1
SCHEMBL7394370 0.68 KDM4E (0.54) KDM4EALDH1A1MAPTPOLBAPEX1
SCHEMBL11503765 0.67 LMNA (0.50) KDM4EAPEX1LMNAGRIN2DGRIN3B

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 3 patents. 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
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
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 KDM4E 3447/4885ALDH1A1 971/4885MAPT 4292/4885

“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.