SCHEMBL4242811

SCHEMBL4242811

CCCCCC(=O)N(CC)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
FAAH O00519 2/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL19514829 0.88 FAAH (0.44) AGTR1FAAHEPHX2MEN1KMT2A
SCHEMBL19514842 0.85 AGTR1 (0.44) AGTR1FAAHEPHX2MEN1KMT2A
SCHEMBL8669014 0.84 EPHX2 (0.48) FAAHEPHX2MEN1KMT2AALOX5
SCHEMBL19287169 0.83 CA12 (0.41) AGTR1FAAHEPHX2MEN1KMT2A
SCHEMBL7298422 0.81 CPA1 (0.45) OPRM1OPRD1MEN1KMT2A
SCHEMBL547202 0.81 LMNA (0.49) MEN1KMT2A
SCHEMBL6045641 0.81 LMNA (0.49) MEN1KMT2A
SCHEMBL547221 0.81 LMNA (0.49) MEN1KMT2A
SCHEMBL27422843 0.80 ALOX5 (0.44) AGTR1OPRM1OPRD1ALOX5LTB4R2
SCHEMBL27422841 0.80 ALOX5 (0.44) AGTR1OPRM1OPRD1ALOX5LTB4R2

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
US-8187579-B2 Thickening agent AJINOMOTO CO., INC. (JP) 2012-05-29 US claimed
US-8187579-B2 Thickening agent AJINOMOTO CO., INC. (JP) 2012-05-29 US disclosed
US-20090030092-A1 THICKENING AGENT AJINOMOTO CO., INC. (JP) 2009-01-29 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-20090030092-A1 THICKENING AGENT CUTA, NAAA, ACOT7 AGTR1 1685/4885OPRM1 3887/4885OPRD1 3308/4885

“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.