SCHEMBL308928

SCHEMBL308928

CCOC(=O)c1cc(OC)c(CC=O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 10/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
PTGER4 P35408 1/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HSD17B2 P37059 1/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.43
ESR1 P03372 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL3838309 0.84 KMT2A (0.53) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL308624 0.82 KMT2A (0.52) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL309910 0.81 ESR1 (0.56) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL25255894 0.80 KMT2A (0.50) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL308748 0.79 KMT2A (0.45) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL310490 0.77 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL28483458 0.77 ALDH1A1 (0.63) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL5925578 0.77 HSD17B2 (0.62) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL6806977 0.76 KMT2A (0.54) KMT2AALDH1A1MAPTRAB9APTGER4
SCHEMBL6815909 0.75 KMT2A (0.59) KMT2AALDH1A1MAPTRAB9APTGER4

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 KMT2A 3886/4885ALDH1A1 901/4885MAPT 4803/4885

“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.