SCHEMBL1799995

SCHEMBL1799995

O=C1C=C(O)C(COCc2ccccc2)O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PTPN1 P18031 2/20 0.44
AKT1 P31749 1/20 0.43
TSHR P16473 1/20 0.41
DAO P14920 1/20 0.40
CDC25B P30305 1/20 0.39
DRD1 P21728 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
BUB1 O43683 1/20 0.38
HTR2B P41595 1/20 0.37
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.36
NAAA Q02083 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
SCHEMBL4490049 0.79 LMNA (0.45) LMNACYP3A4
SCHEMBL2181334 0.77 LMNA (0.54) LMNAPTPN1AKT1TSHRCDC25B
SCHEMBL2610008 0.77 LMNA (0.54) LMNAPTPN1AKT1TSHRCDC25B
SCHEMBL4501425 0.76 CYP3A4 (0.48) DAOCYP3A4
SCHEMBL4664699 0.74 FFAR1 (0.50) LMNABCHE
SCHEMBL12537283 0.73 LMNA (0.50) LMNAPTPN1AKT1TSHRCDC25B
SCHEMBL6336780 0.72 LMNA (0.49) LMNAPTPN1AKT1TSHRDAO
SCHEMBL14667678 0.71 LMNA (0.48) LMNAPTPN1AKT1TSHRCDC25B
SCHEMBL27883900 0.70 TSHR (0.45) LMNAPTPN1AKT1TSHRCDC25B
SCHEMBL16638369 0.70 LMNA (0.47) LMNAPTPN1AKT1TSHRCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT LMNA 2915/4885PTPN1 4197/4885AKT1 3180/4885

“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.