SCHEMBL732954

SCHEMBL732954

COC(=O)c1cc(OCc2ccccc2)cc(-c2nnnn2COCC[Si](C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.43
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
GHSR Q92847 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL733114 0.83 CA12 (0.40) DGAT1HPGDLMNAHSD11B1ALDH1A1
SCHEMBL732014 0.81 ALDH1A1 (0.38) DGAT1HPGDLMNAHSD11B1ALDH1A1
SCHEMBL1060223 0.75 GRM2 (0.43) DGAT1HPGDLMNAALDH1A1TSHR
SCHEMBL731203 0.73 LMNA (0.62) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4265841 0.73 HSD11B1 (0.34) DGAT1HPGDHSD11B1ALDH1A1HTT
SCHEMBL31417915 0.72 DGAT1 (0.40) DGAT1HPGDALDH1A1SMN1; SMN2
SCHEMBL31417870 0.72 DGAT1 (0.36) DGAT1HPGDLMNAALDH1A1TSHR
SCHEMBL31417878 0.72 DGAT1 (0.36) DGAT1HPGDLMNAALDH1A1TSHR
SCHEMBL732955 0.72 LMNA (0.45) DGAT1HPGDLMNATSHRSMN1; SMN2
SCHEMBL183994 0.71 LMNA (0.70) HPGDLMNATSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 DGAT1 4400/4885HPGD 2417/4885LMNA 2503/4885

“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.