SCHEMBL2398531

SCHEMBL2398531

O=C(O)CCCC[C@H]1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
NR1I2 O75469 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 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
SCHEMBL2398393 1.00 ALDH1A1 (0.49) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL1916142 1.00 ALDH1A1 (0.49) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL28992188 0.98 TP53 (0.49) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL12602871 0.97 TP53 (0.47) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL2397130 0.95 ALDH1A1 (0.54) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL2399889 0.95 ALDH1A1 (0.54) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL11737905 0.93 HPGD (0.54) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL11024569 0.93 HPGD (0.54) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL28327953 0.93 HPGD (0.54) ALDH1A1TP53HPGDALOX12LMNA
SCHEMBL2481405 0.89 ALDH1A1 (0.56) ALDH1A1TP53HPGDALOX12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885TP53 4663/4885HPGD 522/4885

“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.