SCHEMBL739646

SCHEMBL739646

CN1C(=O)C2C3CC(C4OC34)C2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.43
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL13400488 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTPOLBMAPT
SCHEMBL13714597 0.77 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HTTPOLBMAPT
SCHEMBL13133187 0.76 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL12919556 0.76 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HTTTSHRKMT2A
SCHEMBL4757871 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HTTPOLBMAPT
SCHEMBL13534109 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL17249590 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13400486 0.74 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL10361486 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTCYP3A4TSHR
SCHEMBL737640 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTPOLBMAPT

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-20130228901-A1 MATERIALS AND METHODS FOR STRESS REDUCTION IN SEMICONDUCTOR WAFER PASSIVATION LAYERS DESIGNER MOLECULES, INC. (US) 2013-09-05 US disclosed
US-8138296-B2 Epoxy compounds and process for their production SHOWA DENKO K.K. (JP) 2012-03-20 US disclosed
US-7880018-B2 Epoxy compound and production process of same SHOWA DENKO K.K. (JP) 2011-02-01 US disclosed
US-20100197936-A1 NOVEL EPOXY COMPOUND AND PRODUCTION PROCESS OF SAME SHOWA DENKO K.K. (JP) 2010-08-05 US disclosed
US-20090182110-A1 NOVEL EPOXY COMPOUNDS AND PROCESS FOR THEIR PRODUCTION SHOWA DENKO K.K. (JP) 2009-07-16 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 (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-20090182110-A1 NOVEL EPOXY COMPOUNDS AND PROCESS FOR THEIR PRODUCTION ELOVL3, ACSL3, ACSL4 ALDH1A1 848/4885SMN1; SMN2 4751/4885HTT 3954/4885
US-20100197936-A1 NOVEL EPOXY COMPOUND AND PRODUCTION PROCESS OF SAME OXER1, RER1, ORC3 ALDH1A1 777/4885SMN1; SMN2 2753/4885HTT 4736/4885

“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.