SCHEMBL6981790

SCHEMBL6981790

CCOC(=O)CC(O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.51
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
DHODH Q02127 1/20 0.47
MAPT P10636 5/20 0.47
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
AGTR1 P30556 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL6535359 0.81 DHODH (0.54) LMNATDP1MEN1CYP1A2KMT2A
SCHEMBL11296241 0.81 SMN1; SMN2 (0.42) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4497421 0.80 KMT2A (0.49) LMNATDP1KMT2AMAPTSMN1; SMN2
SCHEMBL4497426 0.80 KMT2A (0.49) LMNATDP1KMT2AMAPTSMN1; SMN2
SCHEMBL20028731 0.78 MAPT (0.47) LMNATDP1MEN1CYP1A2KMT2A
SCHEMBL27604784 0.78 LMNA (0.56) PPIDLMNATDP1MEN1CYP1A2
SCHEMBL1504155 0.78 ALDH1A1 (0.44) TDP1MEN1CYP1A2KMT2AMAPT
SCHEMBL30935351 0.78 ALDH1A1 (0.44) TDP1MEN1CYP1A2KMT2AMAPT
SCHEMBL4764216 0.78 MAPT (0.47) LMNAMEN1CYP1A2KMT2AMAPT
SCHEMBL295741 0.78 ALDH1A1 (0.53) LMNAMEN1KMT2AMAPTSMN1; SMN2

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-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 PPID 4269/4885LMNA 2609/4885TDP1 3755/4885

“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.