SCHEMBL5349941

SCHEMBL5349941

Cc1ccccc1N(F)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
CYP3A4 P08684 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LIPE Q05469 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAX8 Q06710 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
BCHE P06276 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
SCHEMBL4922321 0.83 POLB (0.41) LMNAALDH1A1POLBKDM4EL3MBTL1
SCHEMBL4931096 0.82 ALDH1A1 (0.35) LMNAALDH1A1TSHRPOLBL3MBTL1
SCHEMBL12117478 0.81 LIPE (0.43) LIPEALDH1A1TP53PAX8
SCHEMBL2968877 0.80 LMNA (0.35) LMNAALDH1A1TSHRPOLBMEN1
SCHEMBL21000444 0.78 GSK3B (0.41) CYP3A4TRPM8TSHRMEN1TP53
SCHEMBL17295069 0.78 HDAC6 (0.39) LMNACYP3A4TRPM8LIPEALDH1A1
SCHEMBL12117477 0.78 CYP3A4 (0.54) LMNACYP3A4TRPM8ALDH1A1TSHR
SCHEMBL30443001 0.78 CYP3A4 (0.54) LMNACYP3A4TRPM8ALDH1A1TSHR
SCHEMBL29132941 0.78 SSTR4 (0.34)
SCHEMBL27536175 0.77 MEN1 (0.41) LMNACYP3A4ALDH1A1TSHRPOLB

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 9 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
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
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 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
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 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 LMNA 1677/4885CYP3A4 2192/4885TRPM8 1777/4885

“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.