SCHEMBL12545657

SCHEMBL12545657

CCCN1Cc2ccc(C(C)C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GFER P55789 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.40
HTT P42858 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ADAM17 P78536 4/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NR1H3 Q13133 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GRM5 P41594 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL12545311 0.88 HPGD (0.42) ALDH1A1HPGDKDM4EGFERHSD17B10
SCHEMBL12082379 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNAPARP1
SCHEMBL12546250 0.80 MAPK1 (0.44) ALDH1A1HPGDKDM4EGFERHSD17B10
SCHEMBL12569856 0.80 HDAC4 (0.40) ALDH1A1HPGDKDM4EGFERHSD17B10
SCHEMBL12545835 0.80 HPGD (0.45) ALDH1A1HPGDGFERHSD17B10LMNA
SCHEMBL15119367 0.79 HDAC1 (0.52) PARP1POLBGRM5MEN1KMT2A
SCHEMBL12546659 0.79 KDM4E (0.42) ALDH1A1HPGDKDM4ELMNAPARP1
SCHEMBL17141740 0.79 MEN1 (0.42) ALDH1A1HPGDKDM4ELMNAPARP1
SCHEMBL7903003 0.79 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNAPARP1
SCHEMBL21481251 0.76 IDH1 (0.41) HPGDGFERHSD17B10LMNAPLA2G1B

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885HPGD 3092/4885KDM4E 773/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885HPGD 3092/4885KDM4E 773/4885

“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.