SCHEMBL6794340

SCHEMBL6794340

COc1ccc2c(c1)CC1(C2)Cc2c(ccc(OC)c2C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.42
TDP2 O95551 1/20 0.41
MAPK14 Q16539 2/20 0.39
MIF P14174 2/20 0.39
PPIB P23284 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ABCB1 P08183 2/20 0.37
CES2 O00748 1/20 0.37
MAOB P27338 1/20 0.36
PRNP P04156 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL6799512 0.86 METAP1 (0.41) METAP1TDP2MAPK14MIFPPIB
SCHEMBL6794626 0.82 METAP1 (0.51) METAP1MAPK14PPIBSMN1; SMN2CA1
SCHEMBL6800097 0.80 METAP1 (0.54) METAP1MAPK14PPIBSMN1; SMN2CA1
SCHEMBL6796531 0.76 PPIB (0.55) METAP1MAPK14MIFPPIBSMN1; SMN2
SCHEMBL6800106 0.75 MAOA (0.47) METAP1MIFPPIBSMN1; SMN2CA1
SCHEMBL6795634 0.75 SMN1; SMN2 (0.56) METAP1MAPK14MIFPPIBSMN1; SMN2
SCHEMBL6795653 0.73 CES2 (0.38) MIFCES2MAOBALDH1A1MAPT
SCHEMBL6799540 0.73 PPIB (0.58) METAP1MAPK14PPIBSMN1; SMN2CA1
SCHEMBL25633212 0.72 SMN1; SMN2 (0.52) METAP1PPIBSMN1; SMN2CA1CA2
SCHEMBL6799152 0.72 METAP1 (0.49) METAP1MAPK14PPIBSMN1; SMN2CA1

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-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 US disclosed
EP-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR METAP1 4145/4885TDP2 4138/4885MAPK14 3313/4885

“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.