SCHEMBL6806384

SCHEMBL6806384

CCCCOC(=O)C(CCOC)CC1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MME P08473 7/20 0.44
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL6806379 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL6806362 0.94 MME (0.46) ALDH1A1MME
SCHEMBL6804184 0.91 MME (0.46) ALDH1A1MME
SCHEMBL6804195 0.91 MME (0.46) ALDH1A1MME
SCHEMBL8335047 0.87 MME (0.56) MME
SCHEMBL6807982 0.84 MME (0.45) MME
SCHEMBL5925056 0.84 MME (0.49) ALDH1A1MMECTSLCTSB
SCHEMBL9753833 0.84 MME (0.49) ALDH1A1MMECTSLCTSB
SCHEMBL5796118 0.83 MME (0.48) ALDH1A1MMECTSLCTSB
SCHEMBL6268697 0.81 MME (0.42) ALDH1A1MME

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-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders DACK KEVIN NEIL (GB) 2004-07-15 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-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders MME, ECE1, ECE2 ALDH1A1 714/4885CYP3A4 1589/4885TSHR 3192/4885

“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.