SCHEMBL6330141

SCHEMBL6330141

COc1ccc(C=CC(=O)O)cc1Br.[N-]=[N+]=N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
CTSL P07711 3/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.57
SNCA P37840 2/20 0.56
PKM P14618 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA3 P07451 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56

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
SCHEMBL4188465 0.92 KDM4E (0.73) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4188471 0.92 KDM4E (0.73) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL11718932 0.82 JUN (0.69) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL731054 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL30853135 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL731055 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4176326 0.79 RECQL (0.68) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4176324 0.79 RECQL (0.68) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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 (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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 KDM4E 2337/4885ALDH1A1 1078/4885HPGD 1428/4885

“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.