SCHEMBL6545008

SCHEMBL6545008

C=CCOC(=O)CC1(C=NO)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6545165 0.83 ALDH1A1 (0.38) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL6544313 0.81 KDM4E (0.39) ALDH1A1GAATSHR
SCHEMBL11371842 0.74 TSHR (0.40) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL6366401 0.73 CYP2C19 (0.45) ALDH1A1TSHR
SCHEMBL6366405 0.73 CYP2C19 (0.45) ALDH1A1TSHR
SCHEMBL939773 0.72 ALDH1A1 (0.47) ALDH1A1GAATSHR
SCHEMBL3394048 0.72 ALDH1A1 (0.51) ALDH1A1GAATSHRTDP1NPSR1
Hydrochloric Acid SCHEMBL612325 0.71 ALDH1A1 (0.50) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL9341642 0.71 ALDH1A1 (0.37) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL7111915 0.70 TSHR (0.37) ALDH1A1GAATSHRTDP1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US disclosed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO 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-20040063994-A1 Process for the preparation of cyclic amino acids SLC7A1, MRPL21, BCAT1 ALDH1A1 2987/4885GAA 2650/4885TSHR 2582/4885

“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.