SCHEMBL4990256

SCHEMBL4990256

O=C1CC2CCC(C1)C2C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
APEX1 P27695 1/20 0.37
GMNN O75496 1/20 0.37
PMP22 Q01453 1/20 0.37
TFPI2 P48307 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
GRM1 Q13255 1/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SLC1A2 P43004 2/20 0.32
MEN1 O00255 1/20 0.32
SLC1A1 P43005 1/20 0.32
EDNRB P24530 1/20 0.32

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
SCHEMBL967161 0.78 POLB (0.48) POLBLMNAKDM4ETDP1APEX1
SCHEMBL4069733 0.76 POLB (0.39) POLBLMNAKDM4ETDP1APEX1
SCHEMBL16756317 0.76 POLB (0.39) POLBLMNAKDM4ETDP1APEX1
SCHEMBL3464997 0.76 POLB (0.39) POLBLMNAKDM4ETDP1APEX1
SCHEMBL4982390 0.75 KDM4E (0.36) POLBLMNAKDM4ETDP1APEX1
SCHEMBL4515462 0.74
SCHEMBL7648990 0.74
SCHEMBL8349202 0.74
SCHEMBL29953921 0.73
SCHEMBL12226905 0.72 POLB (0.48) POLBLMNAKDM4ETDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-10351558-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-16 US disclosed
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 EP disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO disclosed
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC. 2008-01-03 US disclosed
EP-1775297-A2 Adenosine receptor antagonists and methods of making and using the same Biogen Idec MA, Inc. (US) 2007-04-18 EP disclosed
EP-1230241-B1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2007-02-07 EP disclosed
US-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ENSINGER CAROL L 2005-10-06 US disclosed
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same BIOGEN, INC. 2003-12-04 US disclosed
US-6605600-B1 Diuretics BIOGEN, INCORPORATED 2003-08-12 US disclosed
EP-1230241-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2002-08-14 EP disclosed
WO-2001034604-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2001-05-17 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 (5 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-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 POLB 4082/4885LMNA 1326/4885KDM4E 3832/4885
US-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 POLB 3869/4885LMNA 1124/4885KDM4E 3477/4885
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 POLB 3821/4885LMNA 1572/4885KDM4E 3622/4885
US-10351558-B2 Factor IXa inhibitors F9, TFPI, F12 POLB 3869/4885LMNA 1124/4885KDM4E 3477/4885
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 POLB 4082/4885LMNA 1326/4885KDM4E 3832/4885

“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.