SCHEMBL4401948

SCHEMBL4401948

C=C(C)C(=O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCOCC3CO3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
PKM P14618 3/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL4401955 0.93 ALDH1A1 (0.64) ALDH1A1PKMGAALMNAPOLB
SCHEMBL9418497 0.86 POLB (0.52) ALDH1A1PKMGAALMNAPOLB
SCHEMBL4399533 0.85 ALDH1A1 (0.59) ALDH1A1PKMGAALMNAPOLB
SCHEMBL6301551 0.85 ALDH1A1 (0.74) ALDH1A1PKMGAALMNATDP1
SCHEMBL811353 0.85 POLB (0.56) ALDH1A1PKMGAALMNAPOLB
SCHEMBL7605012 0.82 ALDH1A1 (0.55) ALDH1A1PKMGAALMNAPOLB
SCHEMBL4402111 0.82 ALDH1A1 (0.55) ALDH1A1PKMGAALMNAPOLB
SCHEMBL13616546 0.81 GAA (0.65) ALDH1A1PKMGAALMNATDP1
SCHEMBL811471 0.81 POLB (0.52) ALDH1A1PKMGAALMNAPOLB
SCHEMBL811886 0.81 POLB (0.52) ALDH1A1PKMGAALMNAPOLB

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
US-8173756-B2 Photopolymerizable monomers having epoxide and unsaturated double bonds and their composition INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-08 US disclosed
US-8173756-B2 Photopolymerizable monomers having epoxide and unsaturated double bonds and their composition INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-08 US disclosed
US-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-06-25 US disclosed
US-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-06-25 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-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION PCNA, EPHX2, ALOX12 ALDH1A1 1077/4885PKM 3228/4885GAA 4414/4885

“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.