SCHEMBL2721041

SCHEMBL2721041

C1=CC(c2ccc(OCC3CO3)c(C3CCCCC3)c2)C=CC1c1ccc(OCC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PTGDR Q13258 4/20 0.36
PTGER2 P43116 1/20 0.36
KCNH2 Q12809 1/20 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
SCHEMBL2826657 1.00 PTGDR2 (0.42) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2828673 0.88 TDP1 (0.42) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2719131 0.88 TDP1 (0.42) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2719367 0.87 TDP1 (0.40) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2832428 0.87 TDP1 (0.40) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2719572 0.83 PTGDR2 (0.49) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2832556 0.83 PTGDR2 (0.49) PTGDR2TDP1ALDH1A1TP53TSHR
SCHEMBL2717674 0.81 TDP1 (0.43) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2720715 0.80 ALDH1A1 (0.50) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL2720817 0.79 TDP1 (0.61) TDP1ALDH1A1TP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400664-B Method for crystallization of epoxy compound SUMITOMO CO LTD 2012-09-05 CN disclosed
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
EP-1995244-A1 METHOD FOR CRYSTALLIZATION OF EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 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-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 PTGDR2 145/4885TDP1 3377/4885ALDH1A1 938/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 PTGDR2 246/4885TDP1 4147/4885ALDH1A1 464/4885

“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.