SCHEMBL10061355

SCHEMBL10061355

CC/C(C(=O)/C=C/c1cc(F)ccc1OC)=C(O)\C=C\c1cc(F)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
AR P10275 1/20 0.45
JUN P05412 2/20 0.45
NFKB1 P19838 2/20 0.45
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
RELA Q04206 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TFEB P19484 1/20 0.41
CAPN1 P07384 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL16815420 0.79 KDM4E (0.57) BACE1ARJUNNFKB1RELA
SCHEMBL16815421 0.79 KDM4E (0.57) BACE1ARJUNNFKB1RELA
SCHEMBL7689315 0.76 KDM4E (0.68) BACE1ARJUNNFKB1RELA
SCHEMBL7689317 0.76 KDM4E (0.68) BACE1ARJUNNFKB1RELA
SCHEMBL5574666 0.76 FDPS (0.56) BACE1ARJUNNFKB1RELA
SCHEMBL2690713 0.76 FDPS (0.56) BACE1ARJUNNFKB1RELA
SCHEMBL610935 0.75 BACE1 (0.49) BACE1ARJUNNFKB1RELA
SCHEMBL610934 0.75 BACE1 (0.49) BACE1ARJUNNFKB1RELA
SCHEMBL19001456 0.74 NFKB1 (0.74) BACE1JUNNFKB1IKBKBCHUK
SCHEMBL608597 0.74 JUN (0.57) BACE1ARJUNNFKB1RELA

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 BACE1 435/4885AR 4674/4885JUN 4222/4885

“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.