SCHEMBL10061353

SCHEMBL10061353

CNCc1ccc(/C=C2\CCC/C(=C(O)\C=C\c3ccc(N(C)C)cc3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
CYP1A2 P05177 2/20 0.53
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP13 P45452 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
EGFR P00533 1/20 0.44
MAPK1 P28482 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL10061376 0.89 CYP2C9 (0.50) MMP8CYP1A2MAPTKMT2AMEN1
SCHEMBL13341570 0.85 CYP1A2 (0.60) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL10061379 0.79 PSMB5 (0.39) MMP8CYP1A2MAPTKMT2AMEN1
SCHEMBL10061350 0.77 BACE1 (0.42) MMP8CYP1A2MAPTKMT2AMEN1
SCHEMBL13341566 0.76 CYP1A2 (0.47) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL10061371 0.76 MGAM (0.39) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL10061349 0.75 CYP2C9 (0.65) CYP1A2MAPTHPGDEGFRCYP26A1
SCHEMBL10077705 0.73 MMP8 (1.00) MMP8MAPTKMT2AMEN1ALDH1A1
SCHEMBL12261585 0.73 MMP8 (0.84) MMP8MAPTKMT2AMEN1ALDH1A1
SCHEMBL17051290 0.72 CYP1A2 (0.52) MMP8CYP1A2MAPTKMT2AMEN1

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 MMP8 1650/4885CYP1A2 4526/4885MAPT 8/4885

“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.