SCHEMBL5155932

SCHEMBL5155932

O=C(c1ccccc1)c1cccc(F)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.62
MYC P01106 1/20 0.54
CDC25B P30305 2/20 0.50
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
ALB P02768 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CDC25A P30304 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRD5A2 P31213 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5158216 0.87 AKR1C3 (0.59) AKR1C3CDC25BATMPOLBNR4A1
SCHEMBL19244787 0.85 CES2 (0.50) AKR1C3MYCATMALBGAA
SCHEMBL1420986 0.84 ALDH1A1 (0.59) AKR1C3ATMGAACES2CES1
SCHEMBL144047 0.82 AKR1C3 (0.76) AKR1C3MYCCDC25BATMPOLB
SCHEMBL30978151 0.82 AKR1C3 (0.76) AKR1C3MYCCDC25BATMPOLB
SCHEMBL333008 0.82 AKR1C3 (0.61) AKR1C3CDC25BATMGAAMAPT
SCHEMBL29433447 0.82 AKR1C3 (0.61) AKR1C3CDC25BATMGAAMAPT
SCHEMBL29592539 0.82 ALB (0.63) AKR1C3CDC25BNR4A1ALBCES2
SCHEMBL335939 0.82 ALB (0.63) AKR1C3CDC25BNR4A1ALBCES2
SCHEMBL857849 0.82 AKR1C3 (0.67) AKR1C3MYCCDC25BATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942456-A Benzoxazocines and their therapeutic use as monoamine reuptake inhibitors SOSEI R & D LTD (GB) 2007-04-04 CN disclosed
EP-1740558-A1 BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS Sosei R&D Ltd. (GB) 2007-01-10 EP disclosed
US-20060019940-A1 Novel benzoxazocines and their therapeutic use SOSEI R&D LTD. (GB) 2006-01-26 US disclosed
WO-2005103019-A1 BENZOXAZOCINES AND THEIR THERAPEUTIC USE AS MONOAMINE REUPTAKE INHIBITORS SOSEI R&D LTD. (GB) 2005-11-03 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 AKR1C3 3345/4885MYC 4798/4885CDC25B 1814/4885

“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.