SCHEMBL3519679

SCHEMBL3519679

COC(=O)C1(C)CC=CO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.35
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL27969550 0.84 POLB (0.33) POLBL3MBTL1
SCHEMBL28148273 0.82 POLB (0.33) POLBL3MBTL1
SCHEMBL18789234 0.81 NPSR1 (0.32) MEN1KMT2ACYP3A4NPSR1
SCHEMBL28191658 0.79 POLB (0.30) POLBL3MBTL1LMNA
SCHEMBL18204973 0.79
SCHEMBL28174454 0.78 POLB (0.31) POLBL3MBTL1
SCHEMBL24801634 0.74 MEN1 (0.33) MEN1KMT2AL3MBTL1
SCHEMBL28831364 0.72 MEN1 (0.30) MEN1KMT2A
SCHEMBL2287253 0.71 POLB (0.33) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL1553471 0.71

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
CN-103228638-A Conversion of 5- (chloromethyl) -2-furaldehyde to 5-methyl-2-furoic acid and derivatives thereof INCITOR LLC 2013-07-31 CN disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 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-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH MEN1 422/4885KMT2A 2580/4885HTT 2504/4885

“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.