SCHEMBL4538565

SCHEMBL4538565

C=CCOCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.51
HRH3 Q9Y5N1 14/20 0.50
HRH2 P25021 12/20 0.50
HRH1 P35367 12/20 0.50
MMP2 P08253 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL11129382 0.92 MMP2 (0.51) MMP3HRH3HRH2HRH1MMP2
SCHEMBL7972550 0.84 MMP3 (0.54) MMP3HRH3HRH2HRH1MMP2
SCHEMBL2356935 0.84 MMP2 (0.50) MMP3HRH3HRH2HRH1MMP2
SCHEMBL26602050 0.83 MMP3 (0.66) MMP3HRH3HRH2HRH1MMP2
SCHEMBL9448812 0.83 HDAC1 (0.55) MMP3HRH3HRH2HRH1MMP2
SCHEMBL14359579 0.83 HDAC1 (0.55) MMP3HRH3HRH2HRH1MMP2
SCHEMBL18763602 0.83 MMP2 (0.54) MMP3HRH3HRH2HRH1MMP2
SCHEMBL18079151 0.82 HDAC1 (0.67) MMP3HRH3HRH2HRH1MMP2
SCHEMBL29444063 0.82 HDAC1 (0.67) MMP3HRH3HRH2HRH1MMP2
SCHEMBL16841044 0.82 HDAC1 (0.67) MMP3HRH3HRH2HRH1MMP2

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-7541071-B2 Liquid-crystalline (METH) acrylate derivatives and composition containing them CHISSO CORPORATION (JP) 2009-06-02 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-20060172090-A1 Liquid crystal polyfunctional acrylate derivative and polymer thereof JNC PETROCHEMICAL CORPORATION (JP) 2006-08-03 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-20060172090-A1 Liquid crystal polyfunctional acrylate derivative and polymer thereof PYM1, LEO1, AFF1 MMP3 4206/4885HRH3 2748/4885HRH2 3735/4885

“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.