SCHEMBL7082476

SCHEMBL7082476

CCCC(CC(C)N(C=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SLC1A1 P43005 4/20 0.39
SLC1A3 P43003 3/20 0.39
FOLH1 Q04609 1/20 0.38
CTSK P43235 1/20 0.38
GRIK1 P39086 2/20 0.37
SLC1A2 P43004 2/20 0.37
GRIK2 Q13002 1/20 0.37
SLC15A1 P46059 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL28010685 0.85 POLB (0.43) POLBCTSKCYP1A2SMN1; SMN2MEN1
SCHEMBL8910551 0.80 PTGES (0.42) CTSK
SCHEMBL27530431 0.79 CTSB (0.44) SLC1A1SLC1A3CTSKSLC1A2CYP1A2
SCHEMBL16166282 0.79 SLC1A3 (0.41) POLBSLC1A1SLC1A3SLC1A2SLC6A3
SCHEMBL7084386 0.79 FOLH1 (0.41) FOLH1
SCHEMBL5268183 0.77 ALDH1A1 (0.40) SLC1A1SLC1A3SLC1A2CYP1A2MEN1
SCHEMBL27744904 0.77 ALDH1A1 (0.40) SLC1A1SLC1A3SLC1A2CYP1A2MEN1
SCHEMBL14282188 0.77 CTSK (0.42) CTSKCYP1A2MEN1CYP2C9CYP2C19
SCHEMBL27389520 0.76 SLC1A3 (0.41) POLBSLC1A1SLC1A3SLC1A2SLC15A1
SCHEMBL28198587 0.76 ALOX5 (0.39) POLBCTSKSMN1; SMN2

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-20030149084-A1 Cytostatic agents AYSCOUGH ANDREW PAUL (GB) 2003-08-07 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-20030149084-A1 Cytostatic agents MCTS1, NNMT, MMP12 POLB 2050/4885SLC1A1 1630/4885SLC1A3 1690/4885

“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.