SCHEMBL4933202

SCHEMBL4933202

CCOC(=O)Cc1ccc(C(=O)/C=C/C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.56
PLA2G1B P04054 10/20 0.56
MAPT P10636 3/20 0.56
THRB P10828 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
THRA P10827 1/20 0.55
CYP1A2 P05177 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RECQL P46063 1/20 0.55
CYP4Z1 Q86W10 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4933205 1.00 ATG4B (0.56) ATG4BPLA2G1BMAPTTHRBALDH1A1
SCHEMBL801295 0.82 MAPT (0.62) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL10958212 0.81 THRB (0.58) MAPTTHRBALDH1A1LMNATHRA
SCHEMBL7405689 0.81 CYP4Z1 (0.55) MAPTTHRBALDH1A1LMNAHPGD
SCHEMBL7405692 0.81 CYP4Z1 (0.55) MAPTTHRBALDH1A1LMNAHPGD
SCHEMBL6393097 0.80 ALDH1A1 (0.57) MAPTTHRBALDH1A1LMNATDP1
SCHEMBL68851 0.80 CYP4Z1 (0.62) MAPTALDH1A1LMNACYP4Z1KMT2A
SCHEMBL14066833 0.79 ATG4B (0.68) ATG4BPLA2G1BMAPTTHRBALDH1A1
SCHEMBL16226978 0.79 ATG4B (0.68) ATG4BPLA2G1BMAPTTHRBALDH1A1
SCHEMBL1686769 0.78 LMNA (0.52) MAPTALDH1A1LMNAHTTCYP4Z1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227770-A1 Benzoxazepine Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-18 US disclosed
EP-1650201-A1 BENZOXAZEPINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-04-26 EP 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-20080227770-A1 Benzoxazepine Compound NR1H2, SQLE, NR1H3 ATG4B 4291/4885PLA2G1B 1166/4885MAPT 4191/4885

“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.