SCHEMBL18317554

SCHEMBL18317554

O=C(NCCCCCCCNC(=O)NCCCn1ccnc1)NCCCn1ccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.66
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
HSD17B10 Q99714 2/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALOX15 P16050 1/20 0.60
QPCT Q16769 2/20 0.59
TBXAS1 P24557 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL18317167 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18317158 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18317995 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18334805 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18317194 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18334797 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18317375 1.00 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18317579 0.98 L3MBTL1 (0.68) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18544251 0.97 L3MBTL1 (0.69) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18568234 0.89 QPCT (0.65) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9

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
WO-2016209785-A1 UREA GELLANTS THE PROCTER & GAMBLE COMPANY (US) 2016-12-29 WO claimed
EP-3109233-A1 UREA GELLANTS The Procter and Gamble Company (US) 2016-12-28 EP claimed
US-20160369208-A1 UREA GELLANT THE PROCTER & GAMBLE COMPANY 2016-12-22 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-20160369208-A1 UREA GELLANT UGP2, UGGT1, SLC14A1 L3MBTL1 1639/4885CYP1A2 913/4885CYP3A4 505/4885

“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.