SCHEMBL5450328

SCHEMBL5450328

Nc1cccc(CCC(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
MAOB P27338 3/20 0.54
MAOA P21397 2/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
APP P05067 1/20 0.49
CYP19A1 P11511 1/20 0.45
CASP1 P29466 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 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
SCHEMBL6159752 0.84 TDP1 (0.64) TDP1MAOBMAOAALDH1A1MAPK1
SCHEMBL56986 0.84 TDP1 (0.59) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL5441092 0.84 ALDH1A1 (0.69) TDP1MAOBMAOAALDH1A1MAPK1
SCHEMBL24405140 0.84 TDP1 (0.54) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL304176 0.84 TDP1 (0.78) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL1068218 0.83 CYP4F2 (0.55) TDP1MAOBMAOAALDH1A1THRA
Ammonia Solution, Strong SCHEMBL28588274 0.82 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
Bicarbonate SCHEMBL7699565 0.82 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL28207503 0.82 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL22276673 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK1L3MBTL1APP

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
US-20220213040-A1 CATECHOLAMINE CARBAMATE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
WO-2020234277-A1 CATECHOLAMINE CARBAMATE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON S DISEASE H. LUNDBECK A/S (DK) 2020-11-26 WO disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
WO-2004098609-A1 BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-11-18 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 (2 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-20220213040-A1 CATECHOLAMINE CARBAMATE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE COMT, CHAT, SLC6A2 TDP1 307/4885MAOB 7/4885MAOA 14/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR TDP1 2782/4885MAOB 660/4885MAOA 848/4885

“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.