SCHEMBL5871869

SCHEMBL5871869

CCCCCOC(=O)C(Cc1[c]c(CC(C(=O)OCCCCC)C(=O)OCCCCC)cc(CC(C(=O)OCCCCC)C(=O)OCCCCC)c1)C(=O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 3/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5871865 0.84 TSHR (0.47) NAAACYP3A4TSHRTP53MAPK1
SCHEMBL5871964 0.83 TSHR (0.39) CYP3A4TSHRTP53MAPK1ESR1
SCHEMBL5872165 0.81 TSHR (0.41) NAAACYP3A4TSHRTP53MAPK1
SCHEMBL5872248 0.80 TSHR (0.41) CYP3A4TSHRTP53MAPK1EPHX1
SCHEMBL5871820 0.78 TSHR (0.44) NAAACYP3A4TSHRTP53MAPK1
SCHEMBL5871978 0.77 ALDH1A1 (0.45) NAAACYP3A4TSHRTP53MAPK1
SCHEMBL8059126 0.76 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14680133 0.76 TSHR (0.55) CYP3A4TSHRTP53MAPK1ALDH1A1
SCHEMBL28054295 0.76 TSHR (0.55) CYP3A4TSHRTP53MAPK1ALDH1A1
SCHEMBL14680117 0.76 TSHR (0.55) CYP3A4TSHRTP53MAPK1ALDH1A1

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 NAAA 1079/4885CYP3A4 858/4885TSHR 2365/4885

“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.