SCHEMBL4897770

SCHEMBL4897770

COc1cc(C=CC(=O)O)cc(Br)c1OCc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.61
LMNA P02545 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C19 P33261 2/20 0.55
HSP90AA1 P07900 1/20 0.55
XBP1 P17861 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4897767 1.00 APP (0.61) APPLMNAMEN1KMT2ACYP1A2
SCHEMBL4897125 0.90 THRA (0.62) APPLMNAALDH1A1KDM4EESR1
SCHEMBL4897130 0.90 THRA (0.62) APPLMNAALDH1A1KDM4EESR1
SCHEMBL4897167 0.85 APP (0.61) APPLMNAMEN1KMT2ACYP1A2
SCHEMBL4897176 0.85 APP (0.61) APPLMNAMEN1KMT2ACYP1A2
SCHEMBL7512554 0.82 KDM4E (0.64) APPLMNAALDH1A1KDM4EHPGD
SCHEMBL7512551 0.82 KDM4E (0.64) APPLMNAALDH1A1KDM4EHPGD
SCHEMBL27743558 0.82 TNFRSF1A (0.60) APPLMNAALDH1A1KDM4EGAA
SCHEMBL22555959 0.80 KDM4E (0.62) APPLMNAALDH1A1KDM4EHPGD
SCHEMBL17211760 0.79 KDM4E (0.63) APPMEN1KMT2AALDH1A1KDM4E

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 APP 3171/4885LMNA 4169/4885MEN1 1631/4885

“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.