SCHEMBL10061387

SCHEMBL10061387

COc1cc(/C=C/C(O)=C2\CCC/C(=C\c3ccc(O)c(CO)c3)C2=O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
JUN P05412 2/20 0.61
MME P08473 1/20 0.61
NOD2 Q9HC29 1/20 0.61
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
MMP8 P22894 2/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPK1 P28482 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
POLB P06746 2/20 0.55
THRB P10828 2/20 0.55
ATM Q13315 1/20 0.55
MMP13 P45452 2/20 0.52
PKM P14618 3/20 0.49

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
SCHEMBL10079960 0.92 MEN1 (0.72) NFKB1MEN1KMT2AJUNMME
SCHEMBL16382595 0.87 MEN1 (0.81) NFKB1MEN1KMT2AJUNMME
SCHEMBL10061383 0.80 FGFR1 (0.58) NFKB1MEN1KMT2AJUNMME
SCHEMBL17694651 0.78 NFKB1 (0.58) NFKB1MEN1KMT2AJUNMME
Cyclovalone SCHEMBL1151847 0.78 MEN1 (1.00) NFKB1MEN1KMT2AJUNMME
Cyclovalone SCHEMBL554417 0.78 MEN1 (1.00) NFKB1MEN1KMT2AJUNMME
Cyclovalone SCHEMBL554418 0.78 MEN1 (1.00) NFKB1MEN1KMT2AJUNMME
Cyclovalone SCHEMBL29929726 0.78 MEN1 (1.00) NFKB1MEN1KMT2AJUNMME
SCHEMBL17694652 0.76 NFKB1 (0.60) NFKB1MEN1KMT2AJUNMME
SCHEMBL13324431 0.74 NFKB1 (0.83) NFKB1MEN1KMT2AJUNMMP2

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 NFKB1 800/4885MEN1 4644/4885KMT2A 2495/4885

“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.