SCHEMBL9906556

SCHEMBL9906556

C=CC(=O)Oc1ccc(CCC(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.71
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
SLC6A2 P23975 1/20 0.54
RAB9A P51151 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
F2RL1 P55085 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL17791334 0.86 THRB (0.79) THRBTP53ALDH1A1F2RL1NFKB1
SCHEMBL1897798 0.85 THRB (0.68) THRBLMNAL3MBTL1FFAR1
SCHEMBL14565371 0.83 THRB (0.65) THRBLMNAKDM4ENPC1TP53
SCHEMBL4596017 0.83 THRB (1.00) THRBLMNANPC1MAPTRAB9A
SCHEMBL242424 0.82 THRB (0.78) THRBKMT2AMEN1FFAR1
SCHEMBL404104 0.82 ALDH1A1 (0.57) THRBLMNAKDM4ENPC1TP53
SCHEMBL19292333 0.81 NPC1 (0.49) THRBLMNAKDM4ENPC1TP53
SCHEMBL25558472 0.81 THRB (0.73) THRBLMNAMAPTALDH1A1KMT2A
SCHEMBL7787037 0.81 THRB (0.97) THRBLMNANPC1MAPTRAB9A
SCHEMBL24517163 0.81 THRB (0.81) THRBCYP3A4ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197710-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2012-06-12 US disclosed
US-8066906-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2011-11-29 US disclosed
US-7981320-B2 Polymerizable composition ADEKA CORPORATION (JP) 2011-07-19 US disclosed
US-7931825-B2 Polymerizable composition ADEKA CORPORATION (JP) 2011-04-26 US disclosed
US-7919009-B2 Polymerizable compounds and polymerizable compositions ADEKA CORPORATION (JP) 2011-04-05 US disclosed
US-7910021-B2 Polymerizable optical active compound and polymerizable composition containing the same ADEKA CORPORATION (JP) 2011-03-22 US disclosed
US-20100320419-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-12-23 US disclosed
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-11-25 US disclosed
US-20100090163-A1 POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-04-15 US disclosed
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-02-11 US disclosed
US-20090294730-A1 POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2009-12-03 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 (5 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-20100320419-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION NOS1, NOS2, PYM1 THRB 1994/4885LMNA 2363/4885KDM4E 3075/4885
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME C1S, PYM1, MCCC2 THRB 3247/4885LMNA 399/4885KDM4E 2413/4885
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION PYM1, SCO2, ZYX THRB 1211/4885LMNA 1333/4885KDM4E 2811/4885
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS CHRM1, CHRM2, CCNE1 THRB 4880/4885LMNA 73/4885KDM4E 669/4885
US-20090294730-A1 POLYMERIZABLE COMPOSITION SCO2, NAT1, CORO1C THRB 985/4885LMNA 1809/4885KDM4E 3930/4885

“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.