SCHEMBL4856956

SCHEMBL4856956

CCCCC1Cc2cc(CC(=O)COC)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 4/20 0.39
METAP1 P53582 3/20 0.39
CYP19A1 P11511 2/20 0.38
HTR2C P28335 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP24A1 Q07973 1/20 0.35

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
SCHEMBL14019342 0.76 METAP1 (0.61) THRATHRBACHEMETAP1CYP19A1
SCHEMBL2424817 0.75 METAP1 (0.65) THRATHRBACHEMETAP1CYP19A1
SCHEMBL4858831 0.74 THRA (0.58) THRATHRBACHEMETAP1CYP19A1
SCHEMBL29130764 0.72 METAP1 (0.64) THRATHRBMETAP1CYP19A1CYP26A1
SCHEMBL5343888 0.71 BAZ2B (0.47) THRATHRBHTR2C
SCHEMBL1853465 0.69 ACHE (0.63) ACHEMETAP1CYP19A1HTR2C
SCHEMBL8028034 0.68 METAP1 (0.64) THRATHRBACHEMETAP1CYP19A1
SCHEMBL29130805 0.67 METAP1 (0.68) THRATHRBACHEMETAP1CYP19A1
SCHEMBL30715899 0.67 METAP1 (0.68) THRATHRBACHEMETAP1CYP19A1
SCHEMBL8030964 0.67 MEN1 (0.44) THRATHRBACHEMETAP1CYP19A1

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 2 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-20060041003-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2006-02-23 US 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 THRA 406/4885THRB 584/4885ACHE 873/4885

“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.