SCHEMBL12371032

SCHEMBL12371032

O=C1CC(C2CCC(c3ccc(C4CCC(C5CC(=O)O5)CC4)cc3)CC2)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
ESR2 Q92731 6/20 0.37
TEAD1 P28347 1/20 0.35
AKT1 P31749 3/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL12370997 0.91 SLC2A1 (0.42) CYP2C9CYP2C19POLBSMN1; SMN2CYP3A4
SCHEMBL12371000 0.91 MAP1LC3B (0.40) POLBSMN1; SMN2
SCHEMBL12370993 0.91 MAP1LC3B (0.39) NOTUM
SCHEMBL12370986 0.91 CYP2C9 (0.46) NOTUMESR2TEAD1CYP2C9CYP2C19
SCHEMBL2273765 0.90 MAP1LC3B (0.39) POLBSMN1; SMN2
SCHEMBL2271030 0.90 MAP1LC3B (0.39) POLBSMN1; SMN2
SCHEMBL12370943 0.90 MAP1LC3B (0.38) NOTUM
SCHEMBL2273714 0.90 MAP1LC3B (0.39) POLBSMN1; SMN2
SCHEMBL2271032 0.90 MAP1LC3B (0.39) POLBSMN1; SMN2
SCHEMBL2271037 0.90 MAP1LC3B (0.39) POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-7999123-B2 2-oxetanone derivative and process for production thereof JNC CORPORATION (JP) 2011-08-16 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
US-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 US disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 NOTUM 3482/4885ESR2 852/4885TEAD1 1214/4885

“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.