SCHEMBL4167802

SCHEMBL4167802

CCCN(CC[O])C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MLYCD O95822 1/20 0.54
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
DRD2 P14416 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
LIMK1 P53667 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL1003735 0.93 TP53 (0.68) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL5166929 0.85 HPGD (0.68) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL9694832 0.82 MLYCD (0.72) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL1926269 0.82 HDAC1 (0.73) TP53HDAC1HDAC6ALDH1A1LIMK1
SCHEMBL28149291 0.82 ALDH1A1 (0.74) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL1004032 0.81 HPGD (0.71) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL9361376 0.79 TP53 (0.60) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL26314066 0.79 MLYCD (0.64) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL28497560 0.79 HDAC1 (0.54) TP53HDAC1HDAC6HPGDALDH1A1
SCHEMBL19404639 0.79 TP53 (0.51) TP53HDAC1HDAC6HPGDALDH1A1

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 TP53 1939/4885HDAC1 1912/4885HDAC6 1947/4885

“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.