SCHEMBL10079960

SCHEMBL10079960

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
NFKB1 P19838 3/20 0.72
JUN P05412 2/20 0.72
MME P08473 1/20 0.72
NOD2 Q9HC29 1/20 0.72
MAPT P10636 4/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPK1 P28482 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP3A4 P08684 2/20 0.64
POLB P06746 2/20 0.64
THRB P10828 2/20 0.64
ATM Q13315 1/20 0.64
PKM P14618 3/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57

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
SCHEMBL10061387 0.92 NFKB1 (0.61) MEN1KMT2ANFKB1JUNMME
Cyclovalone SCHEMBL554418 0.84 MEN1 (1.00) MEN1KMT2ANFKB1JUNMME
Cyclovalone SCHEMBL1151847 0.84 MEN1 (1.00) MEN1KMT2ANFKB1JUNMME
Cyclovalone SCHEMBL554417 0.84 MEN1 (1.00) MEN1KMT2ANFKB1JUNMME
Cyclovalone SCHEMBL29929726 0.84 MEN1 (1.00) MEN1KMT2ANFKB1JUNMME
SCHEMBL10080276 0.80 FGFR1 (0.63) MEN1KMT2ANFKB1JUNMME
SCHEMBL627506 0.80 MGAM (0.47) MEN1KMT2ANFKB1JUNMME
SCHEMBL24510580 0.79 MAPT (1.00) MEN1KMT2ANFKB1JUNMME
SCHEMBL29857079 0.79 MAPT (1.00) MEN1KMT2ANFKB1JUNMME
SCHEMBL6851610 0.79 MAPT (1.00) MEN1KMT2ANFKB1JUNMME

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 2 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
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 MEN1 4644/4885KMT2A 2495/4885NFKB1 800/4885

“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.