SCHEMBL3032477

SCHEMBL3032477

CCCCCCCCCCCC(=O)OCC(O)CN(CCCCC(N)C(=O)OC)CC(O)COC(=O)CCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY10 O00398 6/20 0.52
▸ GPR174 Q9BXC1 6/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GPR34 Q9UPC5 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ENPP2 Q13822 4/20 0.46
▸ LPAR6 P43657 1/20 0.46
▸ LPAR1 Q92633 1/20 0.46
▸ LPAR4 Q99677 1/20 0.46
▸ LPAR5 Q9H1C0 1/20 0.46
▸ LPAR2 Q9HBW0 1/20 0.46
▸ LPAR3 Q9UBY5 1/20 0.46
▸ DGKA P23743 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ TLR2 O60603 1/20 0.43

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
SCHEMBL3027339 1.00 P2RY10 (0.52) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3040154 1.00 P2RY10 (0.52) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3030624 0.96 KDM4E (0.56) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3037786 0.96 KDM4E (0.56) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3039811 0.93 ALDH1A1 (0.54) P2RY10GPR174LMNAENPP2LPAR1
SCHEMBL3027311 0.93 ALDH1A1 (0.54) P2RY10GPR174LMNAENPP2LPAR1
SCHEMBL3021227 0.91 LMNA (0.51) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3042150 0.91 LMNA (0.51) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL3040201 0.91 LMNA (0.51) P2RY10GPR174KDM4EDUSP3MEN1
SCHEMBL17368080 0.88 L3MBTL1 (0.47) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100202998-A1 USE OF AT LEAST ONE LYSINE-DERIVED COMPOUND FOR THE CONDITIONING OF KERATINOUS FIBERS, COSMETIC COMPOSITION COMPRISING IT AND METHOD FOR CONDITIONING THE FIBERS L'OREAL S.A. (FR) 2010-08-12 — — US claimed
US-20100202998-A1 USE OF AT LEAST ONE LYSINE-DERIVED COMPOUND FOR THE CONDITIONING OF KERATINOUS FIBERS, COSMETIC COMPOSITION COMPRISING IT AND METHOD FOR CONDITIONING THE FIBERS L'OREAL S.A. (FR) 2010-08-12 — — 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-20100202998-A1 USE OF AT LEAST ONE LYSINE-DERIVED COMPOUND FOR THE CONDITIONING OF KERATINOUS FIBERS, COSMETIC COMPOSITION COMPRISING IT AND METHOD FOR CONDITIONING THE FIBERS KRT18, DSG1, PLOD3 P2RY10 2044/4885GPR174 3470/4885KDM4E 194/4885

“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.

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