SCHEMBL6799512

SCHEMBL6799512

COc1ccc2c(c1)CC1(C2)Cc2c(ccc(OC)c2Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.41
TDP2 O95551 1/20 0.40
PRNP P04156 1/20 0.40
MAPK14 Q16539 2/20 0.38
MIF P14174 2/20 0.38
PPIB P23284 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CES2 O00748 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
SCHEMBL6795653 0.87 CES2 (0.38) MIFMAOBMAOACES2
SCHEMBL6794340 0.86 METAP1 (0.42) METAP1TDP2PRNPMAPK14MIF
SCHEMBL6794626 0.81 METAP1 (0.51) METAP1PRNPMAPK14PPIBMAOB
SCHEMBL6800097 0.79 METAP1 (0.54) METAP1MAPK14PPIBMAOBMAOA
SCHEMBL6796531 0.74 PPIB (0.55) METAP1PRNPMAPK14MIFPPIB
SCHEMBL6800106 0.74 MAOA (0.47) METAP1MIFPPIBMAOBMAOA
SCHEMBL6795634 0.74 SMN1; SMN2 (0.56) METAP1PRNPMAPK14MIFPPIB
SCHEMBL6799540 0.72 PPIB (0.58) METAP1MAPK14PPIBMAOBSMN1; SMN2
SCHEMBL25633212 0.71 SMN1; SMN2 (0.52) METAP1PRNPPPIBMAOBSMN1; SMN2
SCHEMBL6799152 0.71 METAP1 (0.49) METAP1PRNPMAPK14PPIBMAOB

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-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR METAP1 4145/4885TDP2 4138/4885PRNP 4605/4885

“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.