SCHEMBL2605873

SCHEMBL2605873

N#Cc1ccc(-c2ccc(OCCOC(=O)CC(=O)OCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.65
MMP3 P08254 8/20 0.64
MMP1 P03956 1/20 0.64
MMP9 P14780 1/20 0.64
MMP13 P45452 1/20 0.64
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ABCB1 P08183 1/20 0.51
HPGD P15428 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL2602721 0.89 MMP3 (0.56) MMP2MMP3MMP1MMP9MMP13
SCHEMBL2602736 0.85 MMP2 (0.62) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7578689 0.84 MAPT (0.58) MMP2MMP3MMP1MMP9MMP13
SCHEMBL471107 0.82 THRB (0.61) MMP2MMP3MMP1MMP9MMP13
SCHEMBL15588653 0.81 MMP2 (0.57) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29321812 0.81 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP13
SCHEMBL29322212 0.81 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP13
SCHEMBL25123515 0.81 MAPT (0.55) MMP2MMP3MMP1MMP9MMP13
SCHEMBL10035132 0.81 MAPT (0.55) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7586000 0.81 MAPT (0.55) MMP2MMP3MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168764-B2 Polyfunctional compound, optical recording material, optical recording medium, optical recording/reproducing apparatus, optical waveguide material, and photo-alignment film material NITTO DENKO CORPORATION (JP) 2012-05-01 US disclosed
US-8158737-B2 Method for production of polyfunctional compound NITTO DENKO CORPORATION (JP) 2012-04-17 US disclosed
US-8158736-B2 Method for production of polyfunctional compound NITTO DENKO CORPORATION (JP) 2012-04-17 US disclosed
US-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-04-28 US disclosed
US-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-02-24 US disclosed
US-7884167-B2 conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material NITTO DENKO CORPORATION (JP) 2011-02-08 US disclosed
US-20090209741-A1 POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL NITTO DENKO CORPORATION (JP) 2009-08-20 US disclosed
US-20090182107-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2009-07-16 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 (3 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-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 MMP2 4389/4885MMP3 4693/4885MMP1 4219/4885
US-20090209741-A1 POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL CRY1, HAX1, F12 MMP2 3478/4885MMP3 1182/4885MMP1 1008/4885
US-20110098454-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 MMP2 4347/4885MMP3 4671/4885MMP1 4209/4885

“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.