SCHEMBL4401969

SCHEMBL4401969

C=C(C)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
PKM P14618 3/20 0.68
GAA P10253 2/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 5/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.40
ELANE P08246 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL24709164 0.91 ALDH1A1 (0.55) ALDH1A1PKMGAALMNAMAPT
SCHEMBL4403982 0.87 ALDH1A1 (0.51) ALDH1A1PKMGAALMNAMAPT
SCHEMBL7603742 0.87 ALDH1A1 (0.51) ALDH1A1PKMGAALMNAMAPT
SCHEMBL4401955 0.87 ALDH1A1 (0.64) ALDH1A1PKMGAALMNAMAPT
SCHEMBL10015759 0.84 ALDH1A1 (0.48) ALDH1A1PKMGAALMNAMAPT
SCHEMBL9616111 0.84 ALDH1A1 (0.74) ALDH1A1PKMGAALMNAMAPT
SCHEMBL712702 0.83 ALDH1A1 (0.68) ALDH1A1PKMGAALMNAMAPT
SCHEMBL313096 0.83 ALDH1A1 (1.00) ALDH1A1PKMGAALMNAMAPT
SCHEMBL1232411 0.81 PKM (0.67) ALDH1A1PKMGAALMNAMAPT
SCHEMBL4401948 0.81 ALDH1A1 (0.54) ALDH1A1PKMGAALMNAMAPT

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.