SCHEMBL13877529

SCHEMBL13877529

Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccc(Br)cc5)c4)cc3)cc2)cc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12216704 0.83 BACE1 (0.52) ALOX15KMT2AADORA3ADORA2AADORA1
SCHEMBL14255576 0.75 BACE1 (0.43) HPGDMCL1ALDH1A1PELI1BACE1
SCHEMBL12239726 0.74 BACE1 (0.42) HPGDERN1ALDH1A1PELI1BACE1
SCHEMBL12715192 0.74 QDPR (0.43) QDPRALOX15ADORA3ADORA2AADORA1
SCHEMBL28005746 0.72 KMT2A (0.51) IDO1ALOX15KMT2AMEN1LMNA
SCHEMBL12861800 0.72 BACE1 (0.47) ALOX15ADORA3ADORA2AADORA1HPGD
SCHEMBL12920788 0.72 RAB9A (0.40) ALOX15KMT2AMEN1LMNAMAPT
SCHEMBL14626397 0.72 FYN (0.41) IDO1PELI1BACE1
SCHEMBL13911035 0.72 MEN1 (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL14527894 0.72 BACE1 (0.40) ALOX15KMT2AADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — US disclosed
US-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium FUJIFILM CORPORATION (JP) 2008-04-17 — — 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-20080090174-A1 Novel Oxonol Dye Compounds and Optical Information Recording Medium KCNB1, KCNMB1, HCN2 QDPR 471/4885IDO1 979/4885ALOX15 476/4885

“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.

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