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SCHEMBL308617

SCHEMBL308617

CCOC(=O)c1cc(OC)c2c(C=O)cn(C3CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ERN1 O75460 2/20 0.37
▸ SLC29A1 Q99808 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL309106 0.86 HSD17B2 (0.44) HSD17B2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL309253 0.84 HSD17B2 (0.42) HSD17B2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4782659 0.76 GLA (0.38) HSD17B2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL308949 0.76 HSD17B2 (0.48) HSD17B2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL308973 0.74 TSHR (0.39) ALDH1A1LMNAHTTKDM4EMAPT
SCHEMBL308796 0.72 RXFP1 (0.38) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL309592 0.72 ACACB (0.49) HTTKMT2ACA12CA1CA2
SCHEMBL309447 0.72 GLA (0.34) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL2314332 0.71 ERN1 (0.60) HSD17B2ALDH1A1LMNAKMT2AERN1
SCHEMBL4782664 0.70 TSHR (0.37) ALDH1A1SMN1; SMN2LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 — — EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 — — US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 — — EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 — — WO disclosed
WO-2008088689-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 — — WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 — — 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 (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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 HSD17B2 1192/4885ALDH1A1 901/4885SMN1; SMN2 3753/4885

“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.