SCHEMBL10061368

SCHEMBL10061368

O=C1/C(=C(O)/C=C/c2ccc(O)cc2)CC/C1=C\c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 1/20 0.63
HSD11B1 P28845 3/20 0.55
F3 P13726 2/20 0.55
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
MIF P14174 6/20 0.50
CYP26A1 O43174 3/20 0.50
MAOB P27338 2/20 0.45
TYR P14679 2/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL608180 1.00 CYP2C9 (0.63) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL10061349 0.92 CYP2C9 (0.65) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL13341570 0.83 CYP1A2 (0.60) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL10061358 0.82 CYP2C9 (0.48) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL10061376 0.80 CYP2C9 (0.50) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL5585355 0.79 CYP1A2 (1.00) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL14473242 0.79 CYP1A2 (1.00) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL5585354 0.79 CYP1A2 (1.00) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL5585181 0.72 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4HSD11B1F3
SCHEMBL5585182 0.72 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4HSD11B1F3

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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG CYP2C9 4875/4885CYP1A2 4526/4885CYP3A4 4713/4885

“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.