SCHEMBL5468784

SCHEMBL5468784

CC(C)(C)c1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.72
ERBB2 P04626 4/20 0.72
EGFR P00533 3/20 0.72
IGF1R P08069 1/20 0.72
PSEN1 P49768 2/20 0.68
PSEN2 P49810 2/20 0.68
APH1B Q8WW43 2/20 0.68
NCSTN Q92542 2/20 0.68
APH1A Q96BI3 2/20 0.68
PSENEN Q9NZ42 2/20 0.68
PDGFRB P09619 1/20 0.67
CTRC Q99895 1/20 0.57
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
TGM2 P21980 1/20 0.54

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
SCHEMBL5468785 1.00 LRRK2 (0.72) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL6742363 0.92 LRRK2 (0.79) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL6742364 0.92 LRRK2 (0.79) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL7319107 0.86 ERBB2 (0.73) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL7319104 0.86 ERBB2 (0.73) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL6694978 0.85 ERBB2 (0.72) LRRK2ERBB2EGFRIGF1RPSEN1
SCHEMBL1394475 0.84 LRRK2 (0.77) LRRK2ERBB2EGFRPSEN1PSEN2
SCHEMBL6689420 0.84 LRRK2 (1.00) LRRK2ERBB2EGFRPSEN1PSEN2
SCHEMBL5472251 0.84 ERBB2 (1.00) ERBB2EGFRIGF1RPDGFRBCTRC
SCHEMBL5472252 0.84 ERBB2 (1.00) ERBB2EGFRIGF1RPDGFRBCTRC

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-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US claimed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 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-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 LRRK2 1753/4885ERBB2 4314/4885EGFR 4415/4885

“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.