SCHEMBL1610337

SCHEMBL1610337

COc1ccc2c(c1)[C](O)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.50
CYP19A1 P11511 4/20 0.49
CYP11B2 P19099 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MPI P34949 1/20 0.48
MAOB P27338 1/20 0.47
NQO2 P16083 2/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
ACHE P22303 1/20 0.45
METAP1 P53582 1/20 0.45
MAPK14 Q16539 1/20 0.43
NPY5R Q15761 1/20 0.43
TYMS P04818 1/20 0.43

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
SCHEMBL6797539 0.89 KDM4E (0.48) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL29392039 0.77 MAOB (0.54) CYP19A1KDM4EALDH1A1MAOBACHE
SCHEMBL251842 0.77 MAOB (0.54) CYP19A1KDM4EALDH1A1MAOBACHE
SCHEMBL31167959 0.77 MAPT (0.51) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL356453 0.77 MAPT (0.51) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL31147657 0.77 MAPT (0.51) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL5969900 0.77 MAPT (0.51) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL356454 0.77 MAPT (0.51) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL2315390 0.76 SIGMAR1 (0.68) BCL2CYP19A1CYP11B2SIGMAR1KDM4E
SCHEMBL2607471 0.74 DRD1 (0.62) BCL2SIGMAR1KDM4EALDH1A1MAPT

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 BCL2 449/4885CYP19A1 309/4885CYP11B2 650/4885

“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.