SCHEMBL2417699

SCHEMBL2417699

COc1ccc2c(c1)CC1(C)CCC(=O)C(Br)=C21

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.81
ESR1 P03372 10/20 0.69
ESR2 Q92731 10/20 0.69
SMN1; SMN2 Q16637 1/20 0.43
MALT1 Q9UDY8 2/20 0.40
METAP1 P53582 1/20 0.40
CYP26A1 O43174 1/20 0.39
CYP27A1 Q02318 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL2413158 0.82 ESR2 (1.00) PRNPESR1ESR2
SCHEMBL2421981 0.81 ESR1 (0.60) PRNPESR1ESR2
SCHEMBL2417960 0.78 ESR2 (0.73) PRNPESR1ESR2
SCHEMBL5582320 0.76 ESR1 (0.59) PRNPESR1ESR2
SCHEMBL2420233 0.75 ESR2 (0.69) PRNPESR1ESR2SMN1; SMN2MALT1
SCHEMBL4856450 0.74 PRNP (0.69) PRNPESR1ESR2SMN1; SMN2CYP26A1
SCHEMBL4858819 0.74 ESR2 (0.62) PRNPESR1ESR2
SCHEMBL4859466 0.71 ESR2 (0.81) PRNPESR1ESR2
SCHEMBL227337 0.70 PRNP (0.50) PRNPSMN1; SMN2METAP1KDM4E
SCHEMBL3958079 0.68 SMN1; SMN2 (0.54) PRNPSMN1; SMN2MALT1METAP1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 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 (2 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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA PRNP 2828/4885ESR1 5/4885ESR2 2/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA PRNP 2828/4885ESR1 5/4885ESR2 2/4885

“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.