SCHEMBL5452071

SCHEMBL5452071

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1(CC)c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.43
MAPK1 P28482 1/20 0.42
ALOX15 P16050 4/20 0.40
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1D Q01668 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4757320 0.76 HCAR2 (0.39) ALOX15ALDH1A1TSHRHPGDLMNA
SCHEMBL5458967 0.75 MAPT (0.39) NPSR1ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL3034990 0.68 ABCC1 (0.67) ABCC1MAPK1NPSR1ALDH1A1TSHR
SCHEMBL11225504 0.66 CYP4F2 (0.67) MAPK1ALOX15ALDH1A1TSHRHPGD
SCHEMBL4758286 0.66 TSHR (0.36) ALDH1A1TSHRSLC6A4SLC6A3LMNA
SCHEMBL3016247 0.65 MAPK1 (0.70) ABCC1MAPK1NPSR1ALDH1A1TSHR
SCHEMBL31268668 0.64 MAPK1 (0.51) MAPK1ALOX15ALDH1A1TSHRMAPT
SCHEMBL3038503 0.64 ABCC1 (0.72) ABCC1MAPK1NPSR1ALDH1A1TSHR
SCHEMBL522136 0.63 KMT2A (0.59) MAPK1ALOX15ALDH1A1TSHRCYP1A2
SCHEMBL880464 0.63 TP53 (0.76) MAPK1ALOX15ALDH1A1TSHRLMNA

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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC1 401/4885MAPK1 1791/4885ALOX15 2899/4885

“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.