SCHEMBL472117

SCHEMBL472117

O=C(OCc1ccccc1)C1CC=CCC1C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
ALDH1A1 P00352 4/20 0.52
FABP7 O15540 1/20 0.51
FABP5 Q01469 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL31321938 1.00 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL9110558 0.92 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL9110547 0.92 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL19318899 0.92 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL9110540 0.92 CA1 (0.62) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL1664845 0.87 L3MBTL1 (0.57) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL2159645 0.86 ALDH1A1 (0.52) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL25245808 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1FABP7FABP5
SCHEMBL16347238 0.82 TSHR (0.55) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL18562168 0.82 ALDH1A1 (0.56) CA1CA2ALDH1A1FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664414-B2 Process for producing epoxy compound SHOWA DENKO K.K. (JP) 2014-03-04 US disclosed
US-8466303-B2 Process for production of epoxy compound SHOWA DENKO K.K. (JP) 2013-06-18 US disclosed
US-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND SHOWA DENKO K.K. (JP) 2012-02-02 US disclosed
EP-2412712-A1 METHOD FOR PRODUCING EPOXY COMPOUND Showa Denko K.K. (JP) 2012-02-01 EP disclosed
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND SHOWA DENKO KK (JP) 2011-01-13 US disclosed
EP-2261219-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND Showa Denko K.K. (JP) 2010-12-15 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 (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-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND NOX4, NOX5, NOXO1 CA1 606/4885CA2 416/4885ALDH1A1 1104/4885
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND DUOX2, EPX, DUOX1 CA1 675/4885CA2 2329/4885ALDH1A1 680/4885

“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.