SCHEMBL5344098

SCHEMBL5344098

CCCCC1Cc2cc(N)c(F)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ACHE P22303 2/20 0.35
HTR2C P28335 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL2413944 0.83 ACHE (0.38) THRATHRBACHEHTR2C
SCHEMBL2414659 0.81 ACHE (0.46) ACHE
SCHEMBL5339600 0.78 ACHE (0.30) THRATHRBACHE
SCHEMBL27347569 0.77 ACHE (0.56) THRATHRBACHEHTR2CHTR1A
SCHEMBL5725054 0.77 THRA (0.35) THRATHRBACHEHTR2C
SCHEMBL5727526 0.76
SCHEMBL5336349 0.75
SCHEMBL14590329 0.73 FYN (0.43)
SCHEMBL14019342 0.72 METAP1 (0.61) THRATHRBACHEHTR2CHTR1A
SCHEMBL8030964 0.71 MEN1 (0.44) THRATHRBACHE

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 8 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-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP 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 THRA 497/4885THRB 695/4885ACHE 1176/4885

“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.