SCHEMBL3520901

SCHEMBL3520901

CC1(C(=O)O)Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
PPARA Q07869 1/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 1/20 0.39
HDAC9 Q9UKV0 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29455981 0.83 TRPM8 (0.47) PPARATRPM8
SCHEMBL3519974 0.83 TRPM8 (0.47) PPARATRPM8
SCHEMBL3519499 0.81 POLB (0.50) POLBL3MBTL1LMNATSHRTP53
Acetic Acid SCHEMBL28604975 0.79 LMNA (0.42) POLBL3MBTL1LMNAMAPTRAB9A
SCHEMBL5620287 0.79 LMNA (0.37) POLBL3MBTL1LMNATSHRTP53
SCHEMBL14592012 0.79 LMNA (0.37) POLBL3MBTL1LMNATSHRTP53
SCHEMBL5620282 0.79 LMNA (0.37) POLBL3MBTL1LMNATSHRTP53
SCHEMBL23618118 0.78 PPARA (0.47) POLBL3MBTL1LMNAMAPTPPARA
SCHEMBL10509951 0.78 ATM (0.46) POLBL3MBTL1LMNATSHRMAPT
SCHEMBL5098770 0.78 PPARA (0.44) POLBL3MBTL1LMNATSHRMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
CN-109369391-A A kind of synthetic method of fragrance dichloro methyl esters 南昌大学 2019-02-22 CN disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
EP-0071368-B1 IMIDAZOLINE DERIVATIVES RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1985-04-17 EP disclosed
US-4411908-A ANTIMIGRAINE, ANTIDEPRESSANTS RECKITT & COLMAN PRODUCTS LIMITED (GB) 1983-10-25 US disclosed
EP-0071368-A1 Imidazoline derivatives RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1983-02-09 EP 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 (3 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G POLB 4649/4885L3MBTL1 3841/4885LMNA 3733/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH POLB 1642/4885L3MBTL1 3304/4885LMNA 1637/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G POLB 4649/4885L3MBTL1 3841/4885LMNA 3733/4885

“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.