SCHEMBL4740646

SCHEMBL4740646

COCOc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.63
AKR1C3 P42330 6/20 0.51
AKR1C2 P52895 6/20 0.51
PTGS2 P35354 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
SLC22A6 Q4U2R8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCL8 P10145 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL15887338 0.91 PTGS1 (0.51) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL27569844 0.89 PTGS1 (0.49) PTGS1PTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3668050 0.87 PTGS1 (0.61) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL5413229 0.86 FFAR1 (0.47) PTGS1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3674440 0.84 AKR1C3 (0.70) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL4129278 0.84 L3MBTL1 (0.47) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL11461815 0.84 AKR1C3 (0.74) PTGS1AKR1C3AKR1C2PTGS2MAPT
SCHEMBL28133951 0.83 PTGS1 (0.65) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL6288738 0.83 PTGS1 (0.65) PTGS1AKR1C3AKR1C2PTGS2SMN1; SMN2
SCHEMBL3906710 0.82 PTGS1 (0.46) PTGS1AKR1C3AKR1C2SMN1; SMN2KDM4E

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
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
US-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO LTD 2007-07-19 US disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed
EP-1602642-A1 IMINO ETHER DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 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-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient INSR, NR1H2, NR1H3 PTGS1 203/4885AKR1C3 276/4885AKR1C2 267/4885

“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.