SCHEMBL6809490

SCHEMBL6809490

CCOC(=O)CC(C)(C)Cc1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PLIN1 O60240 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL27995402 0.80 TSHR (0.45) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL29798734 0.79 MEN1 (0.48) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL29798733 0.79 MEN1 (0.48) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL14874337 0.79 MEN1 (0.48) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL1792326 0.79 TSHR (0.55) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL14874556 0.78 MEN1 (0.47) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL14874591 0.78 MEN1 (0.45) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL14874580 0.77 MEN1 (0.46) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL14874577 0.77 MEN1 (0.46) MEN1KMT2AMAPTHTTPLIN1
SCHEMBL14874327 0.76 MEN1 (0.46) MEN1KMT2AMAPTHTTPLIN1

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 MEN1 1452/4885KMT2A 3026/4885MAPT 4222/4885

“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.