SCHEMBL6545165

SCHEMBL6545165

C=CCOC(=O)CC1(C=O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL11371842 0.91 TSHR (0.40) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL6545008 0.83 ALDH1A1 (0.36) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL6545242 0.79 KDM4E (0.41) ALDH1A1GAATSHRMAPT
SCHEMBL31088807 0.77 GAA (0.40) ALDH1A1GAA
SCHEMBL3394048 0.75 ALDH1A1 (0.51) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL939773 0.75 ALDH1A1 (0.47) ALDH1A1GAATSHRCYP2C19SMN1; SMN2
SCHEMBL6545234 0.75 CYP3A4 (0.35) ALDH1A1GAATSHRNPSR1CYP3A4
SCHEMBL28567972 0.75 CYP3A4 (0.35) ALDH1A1GAATSHRNPSR1CYP3A4
Hydrochloric Acid SCHEMBL612325 0.74 ALDH1A1 (0.50) ALDH1A1GAATSHRTDP1NPSR1
SCHEMBL9341642 0.74 ALDH1A1 (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.