SCHEMBL10061376

SCHEMBL10061376

CNCc1ccc(/C=C2\CCC/C(=C(O)\C=C\c3ccc(O)cc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
F3 P13726 2/20 0.50
HSD11B1 P28845 1/20 0.50
MGAM O43451 3/20 0.49
GAA P10253 3/20 0.49
SI P14410 3/20 0.49
MGAM2 Q2M2H8 3/20 0.49
EGFR P00533 1/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 1/20 0.43
MIF P14174 3/20 0.42
MMP8 P22894 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
CYP26A1 O43174 1/20 0.36
MEN1 O00255 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
SCHEMBL10061353 0.89 MMP8 (0.56) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL10061349 0.88 CYP2C9 (0.65) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL10061379 0.82 PSMB5 (0.39) EGFRCYP1A2MMP8MAPTHPGD
SCHEMBL13341570 0.81 CYP1A2 (0.60) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL608180 0.80 CYP2C9 (0.63) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL10061368 0.80 CYP2C9 (0.63) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL10061371 0.74 MGAM (0.39) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL10061358 0.72 CYP2C9 (0.48) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL5585182 0.70 CYP2C9 (1.00) CYP2C9F3HSD11B1MGAMGAA
SCHEMBL14473217 0.70 CYP2C9 (1.00) CYP2C9F3HSD11B1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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 (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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG CYP2C9 4875/4885F3 4825/4885HSD11B1 4733/4885

“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.