SCHEMBL310490

SCHEMBL310490

CCOC(=O)c1ccc(CC=O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
PKM P14618 2/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
PTGER4 P35408 1/20 0.55
MEN1 O00255 3/20 0.52
PDK1 Q15118 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
THRB P10828 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL3127542 0.85 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4262486 0.85 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1304734 0.84 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3841850 0.84 KMT2A (0.63) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7052691 0.84 LMNA (0.64) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL6704626 0.84 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1978638 0.83 KMT2A (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5913763 0.83 LMNA (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL12981598 0.83 ALDH1A1 (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3598047 0.82 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1

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.