SCHEMBL6809492

SCHEMBL6809492

CCOC(=O)C(c1ccc(OC)cc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL25530523 0.82 ATM (0.45) L3MBTL1ATMALOX15KMT2AALDH1A1
SCHEMBL803886 0.81 ATM (0.65) L3MBTL1ATMKMT2AGAAPOLB
SCHEMBL803808 0.81 ATM (0.65) L3MBTL1ATMKMT2AGAAPOLB
SCHEMBL9869760 0.80 KLK7 (0.52) ALOX15KMT2AHDAC3HDAC4HDAC1
SCHEMBL1043694 0.80 ALOX15 (0.51) L3MBTL1ALOX15NPSR1KMT2AHDAC3
SCHEMBL22758104 0.80 NPSR1 (0.51) L3MBTL1ATMNPSR1KMT2AALDH1A1
SCHEMBL9855895 0.80 NPSR1 (0.51) L3MBTL1ATMNPSR1KMT2AALDH1A1
SCHEMBL11106829 0.78 ALOX15 (0.54) ALOX15KMT2AHDAC3HDAC4HDAC1
SCHEMBL490908 0.78 TDP1 (0.50) L3MBTL1ALOX15KMT2AHDAC3HDAC4
SCHEMBL10724843 0.77 ALOX15 (0.44) L3MBTL1ALOX15NPSR1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 L3MBTL1 3222/4885ATM 4753/4885ALOX15 3770/4885

“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.