SCHEMBL4900945

SCHEMBL4900945

Cc1cc(COc2c(Br)cc(/C=C/C(=O)O)cc2Br)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
HPGD P15428 1/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NMT1 P30419 1/20 0.37
CA2 P00918 3/20 0.36
CA5A P35218 3/20 0.36
CA9 Q16790 3/20 0.36
APP P05067 1/20 0.36
ACACB O00763 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4900953 1.00 KDM4E (0.42) KDM4EGAARAB9ALMNAPTGER1
SCHEMBL4890067 0.77 THRB (0.60)
SCHEMBL4895271 0.76 THRA (0.61) KDM4EGAALMNAPTGER1ALDH1A1
SCHEMBL4897739 0.76 ALDH1A1 (0.47) KDM4EGAARAB9ALMNAALDH1A1
SCHEMBL4897742 0.76 ALDH1A1 (0.47) KDM4EGAARAB9ALMNAALDH1A1
SCHEMBL4895267 0.76 THRA (0.61) KDM4EGAALMNAPTGER1ALDH1A1
SCHEMBL4813618 0.74 THRB (0.47) LMNAALDH1A1HTR1AHSD17B10ACACB
SCHEMBL4896426 0.72 CYSLTR1 (0.53) RAB9A
SCHEMBL4896419 0.72 CYSLTR1 (0.53) RAB9A
SCHEMBL4897130 0.69 THRA (0.62) KDM4ELMNAALDH1A1APPHCAR2

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 KDM4E 1847/4885GAA 2761/4885RAB9A 2549/4885

“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.