SCHEMBL6769385

SCHEMBL6769385

O=C(C=CO)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
BCHE P06276 2/20 0.63
CYP2C19 P33261 1/20 0.63
GUSB P08236 1/20 0.63
MAOB P27338 7/20 0.59
MAOA P21397 4/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPK1 P28482 2/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HSP90AA1 P07900 2/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL18379309 0.83 MAPT (0.63) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL28714567 0.81 MAPT (0.61) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL14416844 0.81 MAPT (0.61) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL8644817 0.81 MAPT (0.67) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL8644813 0.81 MAPT (0.67) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL28702840 0.81 MAPT (0.61) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL25219836 0.79 MAOB (0.89) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL25195966 0.79 MAOB (0.89) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL25233412 0.79 MAOB (0.89) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL25191373 0.79 MAOB (0.89) MAPTBCHECYP2C19GUSBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 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 (2 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 1813/4885BCHE 660/4885CYP2C19 1596/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 2096/4885BCHE 789/4885CYP2C19 1702/4885

“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.