SCHEMBL4595108

SCHEMBL4595108

CCCCCCCCCCCC(=O)NC(CO)CC(O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CERT1 Q9Y5P4 3/20 1.00
ASAH1 Q13510 2/20 0.62
ALDH1A1 P00352 1/20 0.61
ACER2 Q5QJU3 1/20 0.61
SMPD2 O60906 2/20 0.52
UGCG Q16739 2/20 0.51
SMPD1 P17405 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
GMNN O75496 1/20 0.47

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
SCHEMBL29534221 1.00 CERT1 (1.00) CERT1ASAH1ALDH1A1ACER2SMPD2
SCHEMBL31684049 0.84 CERT1 (0.72) CERT1ASAH1ALDH1A1ACER2SMPD2
SCHEMBL7765661 0.80 CERT1 (0.67) CERT1ASAH1ALDH1A1ACER2MEN1
SCHEMBL7765658 0.80 CERT1 (0.67) CERT1ASAH1ALDH1A1ACER2MEN1
SCHEMBL8342096 0.80 CERT1 (0.67) CERT1ASAH1ALDH1A1ACER2MEN1
SCHEMBL8383184 0.80 CERT1 (0.67) CERT1ASAH1ALDH1A1ACER2MEN1
SCHEMBL7769010 0.80 ASAH1 (0.68) CERT1ASAH1ALDH1A1ACER2
SCHEMBL8338663 0.80 ASAH1 (0.68) CERT1ASAH1ALDH1A1ACER2
SCHEMBL6570067 0.80 ASAH1 (0.68) CERT1ASAH1ALDH1A1ACER2
SCHEMBL7769012 0.80 ASAH1 (0.68) CERT1ASAH1ALDH1A1ACER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970691-A1 SLIMMING COSMETIC COMPOSITIONS CONTAINING ONE OR MORE LIMONOIDS C.F.E.B. Sisley (FR) 2022-03-23 EP disclosed
EP-1391198-B1 NOVEL SPHINGOLIPID SYNTHESIS INHIBITOR JAPAN SCIENCE & TECH AGENCY (JP) 2008-01-02 EP disclosed
US-6888015-B2 Sphingolipid synthesis inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-03 US disclosed
US-20040092600-A1 Novel sphingolipid synthesis inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-05-13 US disclosed
EP-1391198-A1 NOVEL SPHINGOLIPID SYNTHESIS INHIBITOR Japan Science and Technology Corporation (JP) 2004-02-25 EP 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-20040092600-A1 Novel sphingolipid synthesis inhibitor SPTLC1, SPTLC2, SPTLC3 CERT1 6/4885ASAH1 13/4885ALDH1A1 1567/4885

“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.