SCHEMBL4858831

SCHEMBL4858831

CCCCC1Cc2cc(OCOC)ccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.58
THRB P10828 3/20 0.58
METAP1 P53582 5/20 0.50
CYP19A1 P11511 2/20 0.46
CYP24A1 Q07973 2/20 0.40
CYP27A1 Q02318 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
CYP26A1 O43174 1/20 0.37

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
SCHEMBL2424817 0.87 METAP1 (0.65) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL29130764 0.83 METAP1 (0.64) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL29130805 0.79 METAP1 (0.68) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL30715899 0.79 METAP1 (0.68) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL14045013 0.78 METAP1 (0.46) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL9739165 0.78 METAP1 (0.46) THRATHRBMETAP1CYP19A1ALDH1A1
SCHEMBL14019342 0.77 METAP1 (0.61) THRATHRBMETAP1CYP19A1ACHE
SCHEMBL9740651 0.77 METAP1 (0.43) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL8028034 0.76 METAP1 (0.64) THRATHRBMETAP1CYP19A1CYP24A1
SCHEMBL5362542 0.74 METAP1 (0.62) THRATHRBMETAP1CYP19A1CYP24A1

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 5 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
EP-1551820-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-07-13 EP disclosed
US-6800785-B1 ALKYLATING INDANONE TO YIELD INTERMEDIATE, ADDING NUCLEOPHILE TO YIELD DIENE, CYCLIZING DIENE VIA RING CLOSING OLEFIN METATHESIS REACTION TO YIELD ALLYLIC ALCOHOL, REARRANGING VIA ALLYLIC OXIDATIVE REARRANGEMENT TO YIELD ENE ONE, DEPROTECTING MERCK & CO., INC. 2004-10-05 US disclosed
WO-2004026887-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-04-01 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-20060041003-A1 Estrogen receptor modulators GPER1, ESR2, ESR1 THRA 406/4885THRB 584/4885METAP1 3319/4885

“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.