SCHEMBL10061354

SCHEMBL10061354

COc1ccc(F)cc1/C=C/C(O)=C1\CCC/C(=C\c2cc(F)ccc2OC)C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.52
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NOD2 Q9HC29 2/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
EGFR P00533 4/20 0.44
FGFR1 P11362 1/20 0.43
JUN P05412 2/20 0.40
NFKB1 P19838 2/20 0.40
MME P08473 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HSD17B3 P37058 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL16062395 1.00 NFE2L2 (0.52) NFE2L2KMT2AMEN1NOD2CRHBP
SCHEMBL16815420 0.73 KDM4E (0.57) NFE2L2JUNNFKB1ARALDH1A1
SCHEMBL16815421 0.73 KDM4E (0.57) NFE2L2JUNNFKB1ARALDH1A1
SCHEMBL10079960 0.72 MEN1 (0.72) NFE2L2KMT2AMEN1NOD2EGFR
SCHEMBL7689317 0.70 KDM4E (0.68) NFE2L2JUNNFKB1ARRELA
SCHEMBL7689315 0.70 KDM4E (0.68) NFE2L2JUNNFKB1ARRELA
SCHEMBL10080276 0.70 FGFR1 (0.63) KMT2AMEN1NOD2EGFRFGFR1
SCHEMBL9619456 0.69 NFE2L2 (1.00) NFE2L2KMT2AMEN1NOD2CRHBP
SCHEMBL19050169 0.69 NFE2L2 (1.00) NFE2L2KMT2AMEN1NOD2CRHBP
SCHEMBL10061350 0.69 BACE1 (0.42) NFE2L2KMT2AMEN1NOD2CRHBP

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 NFE2L2 2405/4885KMT2A 2495/4885MEN1 4644/4885

“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.