SCHEMBL4675271

SCHEMBL4675271

COc1cccc(C(=O)c2cc(Br)ccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.59
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
HRH1 P35367 1/20 0.50
HTT P42858 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50
AKR1C2 P52895 5/20 0.49
AKR1C1 Q04828 2/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL4680433 0.94 CYP2C8 (0.59) CYP2C8CES2CES1LMNAALDH1A1
SCHEMBL7822107 0.88 CYP2C8 (0.64) CYP2C8CES2CES1LMNAALDH1A1
SCHEMBL25223545 0.84 MAPT (0.63) CYP2C8CES2CES1LMNAHPGD
SCHEMBL25653103 0.84 CES2 (0.53) CYP2C8CES2CES1LMNAALDH1A1
SCHEMBL4679518 0.84 MAPT (0.63) LMNAALDH1A1CYP1A2PGRCYP2D6
SCHEMBL9196432 0.84 POLB (0.64) CYP2C8CES2CES1LMNAALDH1A1
SCHEMBL4842051 0.82 CYP2C8 (0.64) CYP2C8CES2CES1LMNAALDH1A1
SCHEMBL5155346 0.82 AKR1C2 (0.44) CYP2C8ALDH1A1AKR1C2AKR1C1POLB
SCHEMBL1787406 0.82 MAPT (0.59) LMNAALDH1A1CYP1A2PGRCYP2D6
SCHEMBL16108714 0.81 AKR1C3 (0.43) CYP2C8LMNAALDH1A1CYP1A2PGR

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 CYP2C8 364/4885CES2 290/4885CES1 1519/4885

“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.