SCHEMBL4675274

SCHEMBL4675274

COc1ccccc1C(=O)c1cc(Br)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.55
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 3/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.48
AKR1C3 P42330 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GSTA1 P08263 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL4676503 0.94 CDC25B (0.55) CDC25BMAPTRAB9ANPC1HPGD
SCHEMBL28934347 0.90 CDC25B (0.60) CDC25BMAPTRAB9ANPC1HPGD
SCHEMBL5153184 0.87 CDC25B (0.48) CDC25BMAPTRAB9ANPC1HPGD
SCHEMBL6005099 0.84 CDC25B (0.68) CDC25BMAPTRAB9ANPC1HPGD
SCHEMBL1221627 0.82 POLB (0.63) MAPTHPGDKDM4EALDH1A1HTT
SCHEMBL30362007 0.82 POLB (0.63) MAPTHPGDKDM4EALDH1A1HTT
SCHEMBL5153378 0.82 CDC25B (0.48) CDC25BMAPTRAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL27134662 0.81 POLB (0.61) MAPTHPGDKDM4EALDH1A1POLB
SCHEMBL8962196 0.79 CDC25B (0.70) CDC25BMAPTRAB9ANPC1KDM4E
Phthalic Acid SCHEMBL8680432 0.79 HTT (0.75) CDC25BMAPTRAB9ANPC1HPGD

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
EP-1572672-B1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS SOSEI R & D LTD (GB) 2008-08-13 EP disclosed
EP-1950206-A1 Benzoxazocines and their use as monoamine-reuptake inhibitors Sosei R&D Ltd. (GB) 2008-07-30 EP disclosed
US-20060019940-A1 Novel benzoxazocines and their therapeutic use SOSEI R&D LTD. (GB) 2006-01-26 US disclosed
EP-1572672-A1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS Arakis Ltd. (GB) 2005-09-14 EP disclosed
WO-2004056788-A1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS ARAKIS LTD. (GB) 2004-07-08 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 (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-20060019940-A1 Novel benzoxazocines and their therapeutic use HTR4, OPRM1, GRM4 CDC25B 1814/4885MAPT 3319/4885RAB9A 2125/4885

“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.