SCHEMBL5871733

SCHEMBL5871733

[CH2]C(C(=O)OCCCC)C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 5/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.52
HCAR2 Q8TDS4 1/20 0.45
NAAA Q02083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.42
ESR1 P03372 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 6/20 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
SCHEMBL5872233 0.93 NAAA (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL5871740 0.91 NAAA (0.57) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL3635010 0.85 HCAR2 (0.41) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL128747 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL9442346 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL128060 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL6900341 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL2167263 0.80 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL8486852 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL3678999 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHPGDATMHCAR2

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-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 ALDH1A1 272/4885TSHR 2365/4885HPGD 1690/4885

“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.