SCHEMBL1781944

SCHEMBL1781944

CC(C)(C)[Si](C)(C)OCc1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PPARG P37231 1/20 0.39
RIN1 Q13671 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GPR84 Q9NQS5 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
HPGDS O60760 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CGAS Q8N884 1/20 0.32
USP14 P54578 1/20 0.32
NOTUM Q6P988 1/20 0.32
PREP P48147 1/20 0.31
BTK Q06187 1/20 0.31
BACE1 P56817 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL9299143 0.85 GPR84 (0.43) DUTNSD2ABL1PPARGRIN1
SCHEMBL9300372 0.82 DUT (0.47) DUTNSD2ABL1PPARGRIN1
SCHEMBL9300254 0.76 DUT (0.40) DUTCGASUSP14PREPBACE1
SCHEMBL2076432 0.76 AHR (0.41) ABL1
SCHEMBL1607218 0.76 MEN1 (0.41) ABL1BACE1HPGD
SCHEMBL20648641 0.72 TYK2 (0.37)
SCHEMBL31139306 0.71 IDO1 (0.36) BACE1
SCHEMBL4976106 0.71 IDO1 (0.36) BACE1
SCHEMBL12391764 0.71 NSD2 (0.39) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL3350182 0.71 KDR (0.52) ABL1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed
US-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP 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 (2 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT DUT 30/4885NSD2 2748/4885ABL1 776/4885
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R DUT 4726/4885NSD2 3848/4885ABL1 2312/4885

“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.