SCHEMBL4908475

SCHEMBL4908475

COc1cc(Br)ccc1OBOc1ccc(Br)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA2 P00918 2/20 0.42
APP P05067 1/20 0.42
PYCR1 P32322 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1528898 0.92 TDP1 (0.44) TDP1KDM4ECA2APPPYCR1
SCHEMBL29419589 0.84 CA2 (0.56) TDP1KDM4ECA2APPALDH1A1
SCHEMBL20509 0.84 CA2 (0.56) TDP1KDM4ECA2APPALDH1A1
SCHEMBL1256865 0.82 CA2 (0.54) TDP1KDM4ECA2APPALDH1A1
Methyl Alcohol SCHEMBL28799088 0.80 CA2 (0.52) TDP1KDM4ECA2APPALDH1A1
Ethyne SCHEMBL28045684 0.80 CA2 (0.52) TDP1KDM4ECA2APPPYCR1
Formaldehyde SCHEMBL23581083 0.78 CA2 (0.50) TDP1KDM4ECA2APPALDH1A1
SCHEMBL5157748 0.77 NPC1 (0.46) KDM4EAPPALDH1A1TSHRSMN1; SMN2
SCHEMBL22360080 0.77 TDP1 (0.45) TDP1KDM4ECA2APPPYCR1
SCHEMBL290040 0.77 CA12 (0.71) CA2ALDH1A1CA12CA1CA7

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-8951993-B2 Phosphorus containing compounds as protein kinase inhibitors JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2015-02-10 US disclosed
WO-2012116050-A2 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 WO disclosed
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 US disclosed
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 WO 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-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A TDP1 2235/4885KDM4E 3183/4885CA2 3473/4885
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS PPM1A, PPM1G, PPM1B TDP1 1520/4885KDM4E 1177/4885CA2 380/4885

“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.