SCHEMBL1811064

SCHEMBL1811064

COc1cc(C(=O)O)nc2c(OC)cccc12.[KH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
GPR35 Q9HC97 1/20 0.61
PDE10A Q9Y233 1/20 0.56
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 7/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL30541959 0.98 ALOX15 (0.68) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL30541958 0.98 ALOX15 (0.68) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL551212 0.98 ALOX15 (0.68) ALOX15GPR35PDE10AALDH1A1KDM4E
Potassium SCHEMBL1811070 0.97 ALOX15 (0.66) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL1815345 0.87 ALOX15 (0.64) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL6596151 0.87 GPR35 (0.56) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL29531273 0.87 ALOX15 (0.64) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL975858 0.87 ALOX15 (0.56) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL4404964 0.86 ALOX15 (0.51) ALOX15GPR35PDE10AALDH1A1KDM4E
SCHEMBL6588938 0.85 ALOX15 (0.55) ALOX15GPR35PDE10AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
US-7935712-B2 Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME LLC 2009-05-21 US disclosed
US-7410976-B2 Spirochromanone derivatives MERCK & CO., INC. (US) 2008-08-12 US disclosed
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
WO-2007011811-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 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 (2 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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 ALOX15 2764/4885GPR35 3575/4885PDE10A 1705/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 ALOX15 2117/4885GPR35 4504/4885PDE10A 2101/4885

“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.