SCHEMBL2421981

SCHEMBL2421981

COc1cc2c(cc1Br)C1=C(Br)C(=O)CCC1(C)C2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.60
ESR2 Q92731 10/20 0.60
PRNP P04156 1/20 0.54
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2417699 0.81 PRNP (0.81) ESR1ESR2PRNP
SCHEMBL2413158 0.75 ESR2 (1.00) ESR1ESR2PRNP
SCHEMBL6085981 0.70 GRIN2D (0.40) PRNPHTR2AHTR2CHTR2BALDH1A1
SCHEMBL2306816 0.69 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL30759612 0.69 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL24362699 0.66 HTR2A (0.49) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL30759603 0.66 HSD17B1 (0.50) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL14052726 0.66 HSD17B1 (0.50) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL31650256 0.66 KDM4E (0.40) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL23362041 0.65 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1

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 ESR1 5/4885ESR2 2/4885PRNP 2828/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR1 5/4885ESR2 2/4885PRNP 2828/4885

“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.