SCHEMBL12371049

SCHEMBL12371049

CCCC1CCC(c2ccc(OC(F)(F)c3ccc(C4CCC(C5CC(=O)O5)CC4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LIPE Q05469 1/20 0.31
NPC1 O15118 1/20 0.31
CHEK2 O96017 1/20 0.30
TEAD1 P28347 2/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
AKT1 P31749 2/20 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
SCHEMBL12371052 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733383 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733375 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7735340 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7735345 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7735348 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733363 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL14050340 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL5068469 0.82 MAPT (0.45) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL5068471 0.82 MAPT (0.45) ALDH1A1LMNAMAPTCYP2C9MEN1

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 2 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2009-11-05 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-20090275756-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF OGDH, OXGR1, OXER1 ALDH1A1 28/4885LMNA 3383/4885MAPT 4237/4885

“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.