SCHEMBL2868434

SCHEMBL2868434

CC(=O)OCCCCC(C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
LMNA P02545 2/20 0.39
APOBEC3A P31941 1/20 0.39

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
SCHEMBL2863960 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2867405 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL9826471 0.82 ACLY (0.50) ALDH1A1TSHRCHRM1SMN1; SMN2
SCHEMBL11601935 0.80 ALDH1A1 (0.47) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL9254651 0.80 ALDH1A1 (0.47) ALDH1A1TSHRCHRM5CHRM1CHRM3
Acetic Acid SCHEMBL27894503 0.79 ALDH1A1 (0.67) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL189930 0.79 ALDH1A1 (0.74) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL12933279 0.78 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
Acetic Acid SCHEMBL27572027 0.77 ALDH1A1 (0.64) ALDH1A1TSHRCHRM5CHRM1CHRM3
Acetic Acid SCHEMBL27659666 0.77 ALDH1A1 (0.64) ALDH1A1TSHRCHRM5CHRM1CHRM3

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-7696380-B2 Such as 1,2,3-propanetricarboxylic acid tris(trans-2-methylcycloheylamide; nucleation NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-20070066687-A1 Amide-based compound, polyolefin resin composition and molded product NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-03-22 US disclosed
EP-1674447-A1 AMIDES, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEMICAL CO.,LTD. (JP) 2006-06-28 EP 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-20070066687-A1 Amide-based compound, polyolefin resin composition and molded product NAA50, ARG1, RFT1 ALDH1A1 2222/4885TSHR 2883/4885CHRM5 2639/4885

“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.