SCHEMBL4857748

SCHEMBL4857748

CCC1=C2c3ccc(OC)cc3CCC2(CC)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
ESR2 Q92731 11/20 0.46
ESR1 P03372 10/20 0.46
MPO P05164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP24A1 Q07973 2/20 0.41
CYP27A1 Q02318 1/20 0.41
MALT1 Q9UDY8 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
SCHEMBL4856450 0.86 PRNP (0.69) PRNPESR2ESR1MPOSMN1; SMN2
SCHEMBL4849146 0.83 ESR2 (0.65) ESR2ESR1
SCHEMBL4852297 0.76 ESR2 (0.59) PRNPESR2ESR1MPOSMN1; SMN2
SCHEMBL629696 0.71 SMN1; SMN2 (0.58) PRNPMPOSMN1; SMN2CYP24A1CYP27A1
SCHEMBL4858819 0.71 ESR2 (0.62) PRNPESR2ESR1
SCHEMBL14339932 0.71 ESR2 (0.71) ESR2ESR1
SCHEMBL4859137 0.69 ESR2 (0.81) ESR2ESR1
SCHEMBL2418445 0.69 ESR2 (0.72) ESR2ESR1
SCHEMBL2418341 0.69 ESR2 (0.57) ESR2ESR1
SCHEMBL6861853 0.68 ESR2 (0.56) PRNPESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed
US-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 PRNP 1632/4885ESR2 2/4885ESR1 3/4885

“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.