SCHEMBL8719475

SCHEMBL8719475

CCOC(=O)C(Cc1ccc(-c2ccccc2)cc1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.58
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
SRR Q9GZT4 2/20 0.48
PSAT1 Q9Y617 2/20 0.48
PPARG P37231 6/20 0.47
PPARA Q07869 5/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MME P08473 2/20 0.45

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
SCHEMBL7365629 0.92 MMP8 (0.63) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL856250 0.91 MMP8 (0.69) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL15726083 0.89 MMP8 (0.49) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL28250166 0.88 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R
Potassium Ion SCHEMBL7361893 0.85 MMP8 (0.56) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL2050344 0.84 MMP8 (0.53) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5326604 0.84 MMP8 (0.53) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL7696784 0.83 ESR1 (0.51) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL165382 0.82 MMP8 (0.76) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL8716748 0.82 TDP1 (0.50) MMP8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180745-A1 Acylacetate and amidine intermediates for pyrimidone compounds, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-14 EP claimed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
WO-2013129674-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF 学校法人兵庫医科大学 (JP) 2013-09-06 WO disclosed
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 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-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC6 MMP8 1838/4885ALDH1A1 259/4885TP53 2159/4885

“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.