SCHEMBL356853

SCHEMBL356853

COc1ccc(C2(OC)OC(=O)C=C2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
BACE1 P56817 3/20 0.39
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
PKM P14618 2/20 0.36
MCL1 Q07820 1/20 0.36
EDNRA P25101 4/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34

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
SCHEMBL355866 0.80 CA1 (0.49) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL8115608 0.65 GLA (0.41) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL2886215 0.64 HPGD (0.49) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL5321421 0.62 KDM4E (0.51) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL6665328 0.61 EDNRA (0.41) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL7472025 0.61 MMP2 (0.47) KDM4ETDP1BACE1MAPTKMT2A
SCHEMBL10800263 0.60 CA1 (0.44) HPGDALDH1A1TDP1MAPK1PKM
SCHEMBL11252718 0.59 PTGER3 (0.46) HPGDKDM4EMAPTKMT2AMEN1
SCHEMBL17024451 0.59 CA1 (0.48) KDM4ETDP1MAPTKMT2AMAPK1
SCHEMBL28697530 0.59 BACE1 (0.60) HPGDKDM4EALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2631648-A2 Therapeutic target for periodontal disease. Kao Corporation (JP) 2013-08-28 EP claimed
US-20120276546-A1 Periodontal Disease Marker KAO CORPORTATION (JP) 2012-11-01 US claimed
EP-2423683-A1 PERIODONTAL DISEASE MARKERS Kao Corporation (JP) 2012-02-29 EP claimed
US-20120015397-A1 Periodontal Disease Marker (as amended herewith) KAO CORPORATION (JP) 2012-01-19 US claimed
EP-2631648-B1 Therapeutic target for periodontal disease. KAO CORP (JP) 2015-08-12 EP disclosed
EP-2423683-B1 Periodontal disease markers. KAO CORP (JP) 2015-03-18 EP disclosed
EP-2631648-A3 Therapeutic target for periodontal disease. Kao Corporation (JP) 2013-12-18 EP disclosed
US-8568986-B2 Method of selecting an agent that improves periodontal disease KAO CORPORATION (JP) 2013-10-29 US disclosed
EP-2631648-A2 Therapeutic target for periodontal disease. Kao Corporation (JP) 2013-08-28 EP disclosed
EP-2631648-A2 Therapeutic target for periodontal disease. Kao Corporation (JP) 2013-08-28 EP disclosed
US-20120276546-A1 Periodontal Disease Marker KAO CORPORTATION (JP) 2012-11-01 US disclosed
US-8293478-B2 Method of using autoinducer-2 as a periodontal disease marker KAO CORPORATION (JP) 2012-10-23 US disclosed
EP-2423683-A1 PERIODONTAL DISEASE MARKERS Kao Corporation (JP) 2012-02-29 EP disclosed
US-20120015397-A1 Periodontal Disease Marker (as amended herewith) KAO CORPORATION (JP) 2012-01-19 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-20120015397-A1 Periodontal Disease Marker (as amended herewith) IGFBP2, ORMDL3, AREG HPGD 126/4885KDM4E 4262/4885ALDH1A1 1673/4885
US-20120276546-A1 Periodontal Disease Marker IGFBP2, IL1B, F2RL1 HPGD 62/4885KDM4E 4619/4885ALDH1A1 2070/4885

“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.