SCHEMBL6315248

SCHEMBL6315248

COc1cc[c]cc1NCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
POLB P06746 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NSD2 O96028 1/20 0.39
BLM P54132 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APEX1 P27695 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38

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
SCHEMBL3213693 0.78 ALDH1A1 (0.58) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL30063371 0.78 ALDH1A1 (0.58) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL6320988 0.77 KMT2A (0.48) POLBHPGDKMT2AL3MBTL1TSHR
SCHEMBL28176316 0.77 GAA (0.49) ALDH1A1HSD17B10TSHR
SCHEMBL2900768 0.77 LMNA (0.49) TDP1POLBALDH1A1LMNAL3MBTL1
SCHEMBL28015019 0.76 PDE4B (0.38) TDP1ALDH1A1HPGDHSD17B10LMNA
SCHEMBL1520429 0.75 TDP1 (0.72) TDP1POLBALDH1A1HSD17B10KMT2A
SCHEMBL2444264 0.74 POLB (0.45) POLBHPGDHSD17B10LMNAL3MBTL1
SCHEMBL25034752 0.73 APEX1 (0.58) TDP1POLBALDH1A1HPGDHSD17B10
SCHEMBL29721118 0.73 HDAC1 (0.54) TDP1POLBLMNAMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR TDP1 4057/4885POLB 4373/4885ALDH1A1 1506/4885

“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.