SCHEMBL7608018

SCHEMBL7608018

CCCCC(CC)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CA2 P00918 3/20 0.36
CYP3A4 P08684 5/20 0.34
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TOP1 P11387 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
RECQL P46063 1/20 0.32
PDE4A P27815 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL2321053 0.80 CYP3A4 (0.47) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL28194456 0.78 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL21144801 0.78 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL30515755 0.78 ALDH1A1 (0.40) ALDH1A1LMNATOP1
SCHEMBL23234144 0.77 EPHX2 (0.41) ALDH1A1LMNA
SCHEMBL198354 0.77 EPHX2 (0.41) ALDH1A1LMNA
SCHEMBL61278 0.77 EPHX2 (0.41) ALDH1A1LMNA
SCHEMBL23016820 0.77 EPHX2 (0.41) ALDH1A1LMNA
SCHEMBL788641 0.77 EPHX2 (0.41) ALDH1A1LMNA
SCHEMBL15977917 0.77 EPHX2 (0.41) ALDH1A1LMNA

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-20020071820-A1 Protecting body against the effects of pollution; preferably an aqueous dispersion of 3,7,11,15-tetramethyl-1,2,3-hexadecanetriol, phytanetriol, N-2-alkoxycarbonyl derivatives of N-methylglucamine or monoglycerides L'OREAL (FR) 2002-06-13 US claimed

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-20020071820-A1 Protecting body against the effects of pollution; preferably an aqueous dispersion of 3,7,11,15-tetramethyl-1,2,3-hexadecanetriol, phytanetriol, N-2-alkoxycarbonyl derivatives of N-methylglucamine or monoglycerides KRT18, PLIN3, TK1 ALDH1A1 3359/4885CA2 2894/4885CYP3A4 3889/4885

“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.