SCHEMBL2461935

SCHEMBL2461935

O=C(O)CCCNCCNCCCNCCNCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
TSHR P16473 3/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
PRMT1 Q99873 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
HDAC3 O15379 1/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRR2 P28476 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
SCHEMBL11896840 0.97 LMNA (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1741769 0.97 LMNA (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2468753 0.94 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL112741 0.94 LMNA (0.59) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL31620647 0.93 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL14761645 0.92 PRMT1 (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL14761768 0.92 PRMT1 (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2462143 0.92 PRMT1 (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2456770 0.92 PRMT1 (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2459523 0.92 PRMT1 (0.56) LMNASLC22A6TSHRNFKB1PMP22

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-8236748-B2 pH tuneable amido-gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-08-07 US disclosed
US-20110224124-A1 pH Tuneable Amido-Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 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-20110224124-A1 pH Tuneable Amido-Gellant For Use In Consumer Product Compositions AGPAT2, AGPAT5, GNAO1 LMNA 2453/4885SLC22A6 1729/4885TSHR 2020/4885

“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.