SCHEMBL2420985

SCHEMBL2420985

CCCCC1Cc2c(ccc(OC)c2Br)C1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
CYP19A1 P11511 2/20 0.41
KDM4E B2RXH2 1/20 0.35
HTR2C P28335 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL2416616 0.85 ACHE (0.43) ACHECYP19A1HTR2CHTTPDE4A
SCHEMBL2417918 0.84 ACHE (0.42) ACHECYP19A1HTR2C
SCHEMBL2416248 0.76 HTR2A (0.32) ACHE
SCHEMBL31046475 0.75 ACHE (0.39) ACHECYP19A1
SCHEMBL5953234 0.75 ACHE (0.39) ACHECYP19A1
SCHEMBL5725751 0.75 CYP1A2 (0.33) ACHE
SCHEMBL5952753 0.72 ACHE (0.34) ACHECYP19A1HTR2CHTT
SCHEMBL23857155 0.72 ALDH1A1 (0.52) ACHEKDM4EPDE4APDE4BPDE4C
SCHEMBL9343214 0.71 CYP19A1 (0.61) ACHECYP19A1KDM4EHTR2C
SCHEMBL4730233 0.70 ACHE (0.43) ACHECYP19A1KDM4EHTR2C

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 ACHE 293/4885CYP19A1 8/4885KDM4E 649/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ACHE 293/4885CYP19A1 8/4885KDM4E 649/4885

“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.