SCHEMBL732955

SCHEMBL732955

COC(=O)c1cc(OCc2ccccc2)cc(C2(COCC[Si](C)(C)C)N=NN=N2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 2/20 0.39
GCK P35557 1/20 0.39
MAOB P27338 1/20 0.38
NR4A2 P43354 1/20 0.37
FAAH O00519 2/20 0.37
SMPD1 P17405 1/20 0.37
DGAT1 O75907 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALOX5 P09917 1/20 0.37
SRD5A2 P31213 1/20 0.36

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
SCHEMBL391547 0.75 MEN1 (0.71) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL183994 0.75 LMNA (0.70) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5224158 0.74 SMN1; SMN2 (0.48) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL14345811 0.72 LMNA (0.62) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL732954 0.72 DGAT1 (0.43) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL29788280 0.71 LMNA (0.65) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3129603 0.71 MEN1 (0.74) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL90412 0.71 LMNA (0.69) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL29475634 0.71 LMNA (0.69) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL340311 0.71 LMNA (0.65) LMNAHPGDMEN1KMT2ASMN1; SMN2

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 LMNA 2503/4885HPGD 2417/4885MEN1 2567/4885

“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.