SCHEMBL3548978

SCHEMBL3548978

C=CCOc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
LTA4H P09960 4/20 0.45
PTGS2 P35354 1/20 0.45
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3453122 0.94 CA12 (0.53) HPGDCA12CA1CA2CA7
SCHEMBL3487338 0.89 CA12 (0.57) CA12CA1CA2CA7CA9
Formic Acid SCHEMBL15743072 0.85 HPGD (0.50) HPGDCA12CA1CA2CA7
1,4-Diallyloxybenzene SCHEMBL302448 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL5973615 0.82 LTA4H (0.55) CA12CA1CA2CA7CA9
SCHEMBL7793130 0.80 GAA (0.51) HPGDCA12CA1CA2CA7
SCHEMBL6883338 0.80 HPGD (0.54) HPGDCA12CA1CA2CA7
SCHEMBL7793132 0.80 GAA (0.51) HPGDCA12CA1CA2CA7
SCHEMBL5773100 0.80 ALDH1A1 (0.56) HPGDCA12CA1CA2CA7
SCHEMBL3416077 0.80 LTA4H (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861382-B1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
CN-102584754-A Fused aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME 2012-07-18 CN disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1709014-B1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-05-30 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
EP-1709014-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2006-10-11 EP disclosed
WO-2005070905-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2005-08-04 WO disclosed
US-4391995-A 4-Phenoxy-phenoxy-alkane-carboxylic acid derivatives and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed
US-4301295-A ANTILIPEMIC AND ANTICHOLESTEROL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed
US-4238626-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-09 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 (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-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity PPARG, PPARA, FABP4 HPGD 2072/4885CA12 4863/4885CA1 4880/4885
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG HPGD 552/4885CA12 4398/4885CA1 4769/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG HPGD 412/4885CA12 4433/4885CA1 4755/4885

“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.