SCHEMBL1679655

SCHEMBL1679655

COCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MMP3 P08254 7/20 0.49
HRH3 Q9Y5N1 6/20 0.48
HRH2 P25021 5/20 0.48
HRH1 P35367 5/20 0.48
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
MAOB P27338 1/20 0.46
KIF11 P52732 1/20 0.46

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
SCHEMBL1659697 0.94 MAOB (0.50) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL17856189 0.88 MMP2 (0.58) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL197283 0.85 FYN (0.45) MMP2MMP3MMP9MAOB
SCHEMBL18937750 0.83 ALDH1A1 (0.59) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL11121921 0.83 MMP2 (0.58) MMP2ALDH1A1MMP3HRH3HRH2
SCHEMBL11784760 0.81 MAOB (0.57) MMP2ALDH1A1MMP3HRH3HRH2
SCHEMBL12550024 0.80 HDAC1 (0.58) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL19130590 0.80 HDAC1 (0.58) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL15581343 0.80 HDAC1 (0.58) MMP2ALDH1A1HPGDMMP3HRH3
SCHEMBL12726667 0.80 NQO1 (0.58) MMP2ALDH1A1HPGDMMP3HRH3

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 MMP2 4839/4885ALDH1A1 3512/4885HPGD 3933/4885

“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.