SCHEMBL309329

SCHEMBL309329

O=C(O)c1cc(OCCO)c2ccn(C3CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
RARB P10826 6/20 0.33
RARG P13631 5/20 0.33
RARA P10276 4/20 0.33
MAP3K5 Q99683 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCD O00767 1/20 0.32
BRD4 O60885 1/20 0.32
HCAR3 P49019 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL308422 0.86 TSHR (0.44) HSD17B10GAALMNAHPGDSMN1; SMN2
SCHEMBL309993 0.86 TSHR (0.38) HSD17B10GAAHPGDSMN1; SMN2
SCHEMBL308481 0.82 CA12 (0.44) LMNACYSLTR2CYSLTR1
SCHEMBL733323 0.80 KDM4E (0.46) HSD17B10GAALMNAHPGDSMN1; SMN2
SCHEMBL1501711 0.76 KDM4E (0.39) HSD17B10GAALMNAHPGDSMN1; SMN2
SCHEMBL309732 0.74 IDO1 (0.31)
Hydrochloric Acid SCHEMBL29744378 0.71 TOP2A (0.41) HSD17B10LMNAHPGD
SCHEMBL308949 0.71 HSD17B2 (0.48) GAALMNASMN1; SMN2
SCHEMBL308824 0.69 ALDH1A1 (0.38) HSD17B10LMNASMN1; SMN2
SCHEMBL1809233 0.68 GSK3A (0.36) RARBRARGRARA

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 HSD17B10 1393/4885GAA 4828/4885RARB 931/4885

“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.