SCHEMBL308949

SCHEMBL308949

CCOC(=O)c1cc(OC)c2ccn(C3CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL308549 0.90 GLA (0.41) HSD17B2ALDH1A1KMT2AMAPK1NPC1
SCHEMBL308824 0.88 ALDH1A1 (0.38) HSD17B2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL309993 0.86 TSHR (0.38) HSD17B2ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL308369 0.85 CA12 (0.48) HSD17B2ALDH1A1CYP2C19MAPK1RAB9A
SCHEMBL308481 0.85 CA12 (0.44) KMT2AHTTLMNAMAPK1RAB9A
SCHEMBL15297428 0.82 HSD17B2 (0.52) HSD17B2ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL308365 0.81 HSD17B2 (0.51) HSD17B2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL731441 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL309106 0.80 HSD17B2 (0.44) HSD17B2ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL308422 0.79 TSHR (0.44) SMN1; SMN2KMT2AHTTLMNAPOLB

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.