SCHEMBL6437632

SCHEMBL6437632

CCC[C@@H]1CC(=O)C[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
NOS3 P29474 2/20 0.35
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL6440460 1.00 NOS1 (0.39) NOS1NOS2NOS3KMT2ACA1
SCHEMBL23352118 1.00 NOS1 (0.39) NOS1NOS2NOS3KMT2ACA1
SCHEMBL7179688 0.94 NOS1 (0.36) NOS1NOS2NOS3
SCHEMBL11836757 0.85 NOS1 (0.40) NOS1NOS2NOS3KMT2ACA1
SCHEMBL6441618 0.81
SCHEMBL19863566 0.81
SCHEMBL14539079 0.81
SCHEMBL6441564 0.81
SCHEMBL4548488 0.81 NOS1 (0.36) NOS1NOS2NOS3KMT2ACA1
SCHEMBL6440814 0.79 NOS1 (0.39) NOS1NOS2NOS3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215816-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids BLAKEMORE DAVID C 2005-09-29 US claimed
US-6872856-B2 Cyclic ketones, their preparation and their use in the synthesis of amino acids WARNER-LAMBERT COMPANY (US) 2005-03-29 US claimed
US-20030187296-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids WARNER-LAMBERT COMPANY 2003-10-02 US claimed
EP-1296921-A1 CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP claimed
WO-2002000584-A1 CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-03 WO claimed
US-20050215816-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids BLAKEMORE DAVID C 2005-09-29 US disclosed
US-6872856-B2 Cyclic ketones, their preparation and their use in the synthesis of amino acids WARNER-LAMBERT COMPANY (US) 2005-03-29 US disclosed
US-20030187296-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids WARNER-LAMBERT COMPANY 2003-10-02 US disclosed
EP-1296921-A1 CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP disclosed
WO-2002000584-A1 CYCLIC KETONES, THEIR PREPARATION AND THEIR USE IN THE SYNTHESIS OF AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-03 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 (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-20050215816-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids BCAT1, BCAT2, AKR1C3 NOS1 1273/4885NOS2 2081/4885NOS3 1337/4885
US-20030187296-A1 Cyclic ketones, their preparation and their use in the synthesis of amino acids BCKDK, GABRR1, GAP43 NOS1 3579/4885NOS2 4224/4885NOS3 3325/4885

“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.