SCHEMBL6233892

SCHEMBL6233892

CCC(OC=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP17A1 P05093 1/20 0.38
SLC6A9 P48067 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ACP3 P15309 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
GRIA4 P48058 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL1827511 0.89 LMNA (0.42) MAPTALDH1A1CYP2D6FFAR1
SCHEMBL13616887 0.89 LMNA (0.42) MAPTALDH1A1CYP2D6FFAR1
SCHEMBL4670365 0.80 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10071710 0.79 AOC3 (0.41) SLC6A9MAPTALDH1A1CYP2D6CYP2C9
Nitrobenzene SCHEMBL28169232 0.76 ALDH1A1 (0.47) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL4669959 0.75 AOC3 (0.39) MAPTALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8698887 0.73 MME (0.46) ACP3
SCHEMBL2634575 0.73 PTGS2 (0.46) PTGS2MAPTSMN1; SMN2L3MBTL1UTS2R
SCHEMBL13349804 0.73 KDM4E (0.55) PTGS2ALDH1A1SMN1; SMN2FFAR1
SCHEMBL28096818 0.73 ACP3 (0.40) PTGS2CHRNB2CHRNA4CYP17A1MAPT

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-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 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-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 PTGS2 1726/4885CHRNB2 1191/4885CHRNA4 1363/4885

“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.