SCHEMBL5871996

SCHEMBL5871996

[CH]=C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
DGKA P23743 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL5871850 0.85 ALDH1A1 (0.56) HCAR2ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL5871618 0.83 TSHR (0.59) HCAR2ALDH1A1TSHRLMNAMAPK1
SCHEMBL138475 0.83 HCAR2 (0.48) HCAR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL8188882 0.82
SCHEMBL5871861 0.81 TSHR (0.62) HCAR2ALDH1A1TSHRLMNANAAA
Water SCHEMBL27557216 0.80 HCAR2 (0.46) HCAR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL16045173 0.78 HCAR2 (0.44) HCAR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL3221998 0.78 ALDH1A1 (0.50) HCAR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL11508709 0.78 GAA (0.46) HCAR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL106813 0.76

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 HCAR2 2731/4885ALDH1A1 272/4885SMN1; SMN2 161/4885

“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.