SCHEMBL6800776

SCHEMBL6800776

CCOC(=O)C(C#N)C(C)(Cc1ccccc1)Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP8 P22894 1/20 0.41
MMP9 P14780 1/20 0.41
CTSL P07711 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL3627760 0.81 MMP8 (0.48) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL6805192 0.80 KMT2A (0.39) KMT2ALMNAMEN1TDP1KDM4E
SCHEMBL28796256 0.77 ALDH1A1 (0.47) MMP1MMP13KMT2ALMNAMEN1
SCHEMBL7350364 0.76 MAPK1 (0.47) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL14592440 0.74 SMN1; SMN2 (0.47) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL2173983 0.74 KMT2A (0.49) KMT2ALMNAMEN1TDP1KDM4E
SCHEMBL6803939 0.74 MMP1 (0.47) MMP1MMP13KMT2ALMNAMEN1
SCHEMBL9514160 0.72 EPHX2 (0.60) KMT2ALMNAMEN1TDP1KDM4E
SCHEMBL9475024 0.72 SMN1; SMN2 (0.46) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL28874725 0.71 LDHA (0.51) KMT2ALMNAMEN1TDP1KDM4E

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 MMP1 3325/4885MMP13 2859/4885KMT2A 3026/4885

“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.