SCHEMBL2607375

SCHEMBL2607375

C=CC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.55
MMP3 P08254 6/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44

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
SCHEMBL17754349 0.89 MMP2 (0.46) MMP2MMP3MMP1MMP9MMP13
SCHEMBL17754288 0.89 MMP2 (0.46) MMP2MMP3MMP1MMP9MMP13
SCHEMBL17754304 0.88 SMN1; SMN2 (0.44) HPGDMAPTGAAALDH1A1
SCHEMBL17754289 0.84 MAPT (0.47) MMP2MAPTPOLBKMT2AGAA
SCHEMBL9615542 0.83 ALOX15 (0.45) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL18900966 0.81 THRB (0.49) MAPTGAAALDH1A1
SCHEMBL4284626 0.80 MMP2 (0.71) MMP2MMP3MMP1MMP9MMP13
SCHEMBL9611216 0.79 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP13
SCHEMBL103216 0.79 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP13
SCHEMBL471107 0.78 THRB (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-8158736-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-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-02-24 US disclosed
US-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND NITTO DENKO CORPORATION (JP) 2011-02-24 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 (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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 MMP2 2013/4885MMP3 3056/4885MMP1 2027/4885
US-20110046358-A1 METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND ADCY10, ADCY5, ADCY1 MMP2 4389/4885MMP3 4693/4885MMP1 4219/4885

“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.