SCHEMBL13100936

SCHEMBL13100936

CC(C)C(=O)Cn1cnnc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLAA Q9Y263 1/20 0.38
▸ ALPG P10696 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TBXAS1 P24557 2/20 0.31
▸ GRIN2B Q13224 3/20 0.31
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL12391736 0.77 ALDH1A1 (0.62) PLAAALPGALDH1A1CYP19A1TBXAS1
SCHEMBL28357612 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL11196216 0.72 PLAA (0.44) PLAAALPGALDH1A1ESR1CYP19A1
SCHEMBL9911549 0.71 ALDH1A1 (0.47) ALPGALDH1A1
SCHEMBL3232702 0.71 MEN1 (0.50) ALDH1A1CYP1A2
SCHEMBL2824968 0.70 — —
SCHEMBL30989344 0.70 TDP1 (0.41) PLAAALPGALDH1A1ESR1CYP19A1
SCHEMBL15682636 0.67 FOLH1 (0.41) CYP19A1
SCHEMBL20665996 0.66 GRIN2B (0.37) ALDH1A1GRIN2B
SCHEMBL19268182 0.65 PTGS2 (0.39) GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 — — US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 — — US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 — — 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 (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-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 PLAA 4879/4885ALPG 4431/4885ALDH1A1 2721/4885

“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.

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