SCHEMBL12080602

SCHEMBL12080602

OCC1COC2(CCN(Cc3cnc(Cl)s3)CC2)O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 2/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
OGA O60502 3/20 0.36

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
SCHEMBL486680 0.90 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL12087859 0.78 LMNA (0.41) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL486728 0.74 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL486366 0.70 ALDH1A1 (0.42) ALDH1A1SIGMAR1TMEM97HTR1AADRA1D
SCHEMBL16854340 0.70 ALDH1A1 (0.72) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL486699 0.69 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL4590541 0.68 ALDH1A1 (0.64) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL8201231 0.68 GAA (0.41) GAASIGMAR1TMEM97HTR1AADRA1D
SCHEMBL486331 0.68 SIGMAR1 (0.50) SIGMAR1TMEM97HTR1AADRA1DADRA1A
SCHEMBL3085138 0.67 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ARECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410854-B1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-06-29 EP claimed
US-20150167008-A1 ANTISENSE MODULATION OF SUPEROXIDE DISMUTASE 1, SOLUBLE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 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-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF CYP4X1, CYP51A1, CYP1A1 ALDH1A1 442/4885LMNA 4097/4885KMT2A 258/4885

“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.