SCHEMBL6806602

SCHEMBL6806602

COc1ccc2c(c1)CC1(C2)C(=O)c2ccc(OC)cc2C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.44
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPIB P23284 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAOB P27338 2/20 0.39
PRNP P04156 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 2/20 0.37

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
SCHEMBL6797067 0.91 MAOA (0.43) METAP1ACHEKDM4EALDH1A1PPIB
SCHEMBL6794626 0.74 METAP1 (0.51) METAP1ACHEALDH1A1PPIBCA1
SCHEMBL6800097 0.71 METAP1 (0.54) METAP1ACHEKDM4EALDH1A1PPIB
SCHEMBL6795634 0.69 SMN1; SMN2 (0.56) METAP1PPIBCA1CA2CA4
SCHEMBL6800106 0.68 MAOA (0.47) METAP1PPIBCA1CA2CA4
SCHEMBL3958079 0.67 SMN1; SMN2 (0.54) METAP1ACHEKDM4EALDH1A1PPIB
SCHEMBL23835146 0.67 METAP1 (0.73) METAP1ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL8898116 0.67 DRD2 (0.46) METAP1MAOB
SCHEMBL29447984 0.67 DRD2 (0.46) METAP1MAOB
SCHEMBL30887372 0.67 METAP1 (0.73) METAP1ACHEKDM4EALDH1A1SMN1; SMN2

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 4145/4885ACHE 689/4885KDM4E 2324/4885

“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.