SCHEMBL1809185

SCHEMBL1809185

COC(=O)c1cc(OC)c2cccc(C3CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.49
PDK4 Q16654 1/20 0.49
ALOX15 P16050 1/20 0.44
ADORA2A P29274 2/20 0.43
PDE4D Q08499 3/20 0.42
RBP4 P02753 1/20 0.41
GPR35 Q9HC97 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGER4 P35408 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL1810193 0.88 ALOX15 (0.58) PDK2PDK4ALOX15ADORA2APDE4D
SCHEMBL1811930 0.88 PDK2 (0.46) PDK2PDK4ADORA2ARBP4KDM4E
SCHEMBL1501676 0.87 PDK2 (0.49) PDK2PDK4ADORA2ARBP4KDM4E
SCHEMBL1811362 0.84 ALOX15 (0.50) ALOX15ADORA2AGPR35KDM4EALDH1A1
SCHEMBL1809520 0.80 ALOX15 (0.47) ALOX15GPR35KDM4EALDH1A1HPGD
SCHEMBL26766438 0.80 CRHR1 (0.50) PDK2PDK4ADORA2AKDM4EALDH1A1
SCHEMBL4708560 0.79 ADRA2A (0.39) PDK2PDK4ALOX15ADORA2AGPR35
SCHEMBL1810966 0.79 PDE4B (0.38) PDK2PDK4ALOX15ADORA2APDE4D
SCHEMBL6177930 0.78 ALOX15 (0.45) ALOX15GPR35KDM4EALDH1A1HPGD
SCHEMBL27730910 0.77 PDK2 (0.44) PDK2PDK4ADORA2APDE4DKDM4E

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
CN-101238132-A Spirochroman-4-ones as acetyl-CoA carboxylase (ACC) inhibitors MERCK & CO INC (US) 2008-08-06 CN disclosed
EP-1910375-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 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 (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 PDK2 86/4885PDK4 90/4885ALOX15 2764/4885
US-20090131464-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS ACACA, ACACB, ACAT1 PDK2 34/4885PDK4 36/4885ALOX15 2117/4885

“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.