SCHEMBL4004783

SCHEMBL4004783

Nc1ccc(C=C(C(=O)OCC2CCCCC2)C(=O)OCC2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP10 Q53GL7 5/20 0.40
PARP15 Q460N3 4/20 0.40
NFE2L2 Q16236 1/20 0.39
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL13299447 0.87 MEN1 (0.55) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL14533258 0.83 DPEP1 (0.46) DPEP1LMNAPARP10PARP15NFE2L2
SCHEMBL4008900 0.81 LMNA (0.48) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL13240377 0.80 CDK2 (0.46)
SCHEMBL4007127 0.78 DPEP1 (0.39) DPEP1MEN1KMT2ALMNAMAPT
SCHEMBL5710011 0.75 LMNA (0.53) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6924253 0.74 MEN1 (0.72) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL8472995 0.72 KMT2A (0.54) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2155002 0.71 MEN1 (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4004260 0.71 MEN1 (0.49) MEN1KMT2ALMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183530-A1 Cosmetic compositions comprising 4-carboxy-2-pyrrolidinone esters and triazine lipophilic UV-screening agents L'OREAL (FR) 2010-07-22 US disclosed
EP-2193784-A1 Cosmetic compositions containing an ester derivative of 2-pyrrolidinone 4-carboxy and a lipophilic triazine filter, with use of said derivative as a solvent of a lipophilic triazine filter L'OREAL (FR) 2010-06-09 EP disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed
US-7217821-B2 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2007-05-15 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-20100183530-A1 Cosmetic compositions comprising 4-carboxy-2-pyrrolidinone esters and triazine lipophilic UV-screening agents TYR, PAH, C1S DPEP1 1948/4885MEN1 1842/4885KMT2A 1434/4885

“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.