SCHEMBL4301293

SCHEMBL4301293

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
FOS P01100 2/20 0.67
JUN P05412 2/20 0.67
GSK3B P49841 7/20 0.64
BACE1 P56817 7/20 0.64
TLR9 Q9NR96 1/20 0.64
TRPV1 Q8NER1 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL608059 1.00 CYP1A2 (0.77) CYP1A2FOSJUNGSK3BBACE1
SCHEMBL608060 1.00 CYP1A2 (0.77) CYP1A2FOSJUNGSK3BBACE1
SCHEMBL26382466 0.87 CYP1A2 (1.00) CYP1A2JUNTRPV1SMN1; SMN2MAPT
SCHEMBL20586571 0.83 CYP1A2 (0.77) CYP1A2FOSJUNGSK3BBACE1
SCHEMBL610560 0.83 CYP1A2 (0.77) CYP1A2FOSJUNGSK3BBACE1
SCHEMBL610559 0.83 CYP1A2 (0.77) CYP1A2FOSJUNGSK3BBACE1
SCHEMBL846833 0.82 CYP1A2 (0.75) CYP1A2TRPV1SMN1; SMN2MAPTNPC1
SCHEMBL4001354 0.82 CYP1A2 (0.75) CYP1A2TRPV1SMN1; SMN2MAPTNPC1
SCHEMBL818742 0.82 CYP1A2 (0.75) CYP1A2TRPV1SMN1; SMN2MAPTNPC1
SCHEMBL608506 0.80 FOS (1.00) CYP1A2FOSJUNGSK3BBACE1

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-20090263492-A1 Diagnostic Methods and Genetic Markers for Alzheimer Disease HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2009-10-22 US claimed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
US-20090263492-A1 Diagnostic Methods and Genetic Markers for Alzheimer Disease HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2009-10-22 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 (2 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-20090263492-A1 Diagnostic Methods and Genetic Markers for Alzheimer Disease CHAT, SLC18A3, GAP43 CYP1A2 2261/4885FOS 4099/4885JUN 4432/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG CYP1A2 4526/4885FOS 4116/4885JUN 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.