SCHEMBL3968088

SCHEMBL3968088

O=C(Nc1ccc(CCO)cc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.59
KDM1A O60341 2/20 0.58
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RECQL P46063 1/20 0.57
MGLL Q99685 1/20 0.57
ROCK2 O75116 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
ENPP2 Q13822 2/20 0.52

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
SCHEMBL8867533 0.88 POLB (0.64) POLBTP53MAPTKDM1AMAOA
SCHEMBL14055557 0.88 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL19682897 0.87 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL21054940 0.87 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL590420 0.87 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL10598558 0.86 POLB (0.69) POLBTP53MAPTKDM1AMAOA
SCHEMBL10595799 0.85 POLB (0.73) POLBTP53MAPTKDM1AMAOA
Benzyl Phenylcarbamate SCHEMBL1222943 0.85 POLB (0.78) POLBTP53MAPTKDM1AMAOA
SCHEMBL9080564 0.84 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL8867363 0.84 ALDH1A1 (0.55) POLBTP53MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524876-B2 Luciferase substrate; non-luminescent, but changes to a luminescent substrate due to molecular structural alteration in the presence of a target molecule; alkylation of amino group shifted emission to longer wavelength; useful for in vivo imaging THE UNIVERSITY OF TOKYO (JP) 2009-04-28 US disclosed
US-20070155806-A1 Novel luciferin derivatives THE UNIVERSITY OF TOKYO (JP) 2007-07-05 US disclosed
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 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-20070155806-A1 Novel luciferin derivatives GLB1, LUC7L2, RXFP1 POLB 4426/4885TP53 4385/4885MAPT 4865/4885

“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.