SCHEMBL608507

SCHEMBL608507

Cc1ccccc1C=CC(=O)C=C(O)C=Cc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.54
FOS P01100 2/20 0.54
GSK3B P49841 4/20 0.47
BACE1 P56817 4/20 0.47
TLR9 Q9NR96 1/20 0.47
NFKB1 P19838 3/20 0.47
NFE2L2 Q16236 2/20 0.47
TFEB P19484 1/20 0.46
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GMNN O75496 1/20 0.43
PMP22 Q01453 1/20 0.43
MAPT P10636 3/20 0.42
PLIN1 O60240 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL17263393 0.94 JUN (0.61) JUNFOSGSK3BBACE1TLR9
SCHEMBL5598952 0.87 NFE2L2 (0.61) JUNNFKB1NFE2L2TFEBHSD11B1
SCHEMBL5598954 0.87 NFE2L2 (0.61) JUNNFKB1NFE2L2TFEBHSD11B1
SCHEMBL78555 0.81 CA1 (0.62) NFKB1ALDH1A1TSHRRAB9ALMNA
SCHEMBL78556 0.81 CA1 (0.62) NFKB1ALDH1A1TSHRRAB9ALMNA
SCHEMBL2425317 0.81 CA1 (0.62) NFKB1ALDH1A1TSHRRAB9ALMNA
SCHEMBL29386378 0.81 CA1 (0.62) NFKB1ALDH1A1TSHRRAB9ALMNA
Hydrochloric Acid SCHEMBL9445634 0.79 CA1 (0.60) NFKB1ALDH1A1TSHRRAB9ALMNA
SCHEMBL5666241 0.79 CA1 (0.60) NFKB1ALDH1A1TSHRRAB9ALMNA
Ammonia Solution, Strong SCHEMBL6324720 0.79 CA1 (0.60) NFKB1ALDH1A1TSHRRAB9ALMNA

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 JUN 4222/4885FOS 4116/4885GSK3B 3394/4885

“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.