SCHEMBL5339600

SCHEMBL5339600

CCCCC1Cc2c(cc(F)c(N)c2F)C1=O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5727526 0.89
SCHEMBL5336349 0.88
SCHEMBL5344098 0.78 THRA (0.37) ACHETHRATHRB
SCHEMBL2414771 0.77 MAOA (0.32) THRATHRB
SCHEMBL2423359 0.76 CYP24A1 (0.31) ACHETHRATHRB
SCHEMBL2419510 0.76 MEN1 (0.31)
SCHEMBL2416248 0.76 HTR2A (0.32) ACHE
SCHEMBL2421172 0.76 HTR1A (0.33)
SCHEMBL7065887 0.73 SIRT2 (0.43) THRATHRB
SCHEMBL2413944 0.72 ACHE (0.38) ACHETHRATHRB

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
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
EP-1418900-A4 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-01-25 EP disclosed
US-20040210080-A1 Selective estrogen receptor modulators MERCK & CO., INC. 2004-10-21 US disclosed
EP-1418900-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-05-19 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 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-20040210080-A1 Selective estrogen receptor modulators GPER1, ESR2, ESR1 ACHE 1176/4885THRA 497/4885THRB 695/4885

“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.