SCHEMBL5871978

SCHEMBL5871978

CCCCCCOC(=O)C(Cc1cc[c]cc1)C(=O)OCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 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

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
SCHEMBL5871820 0.98 TSHR (0.44) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5871668 0.94 TSHR (0.42) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5872172 0.88 MMP8 (0.41) ALDH1A1TSHRLMNATP53PPARG
SCHEMBL14680133 0.85 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL14680117 0.85 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28054295 0.85 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5872055 0.81 MMP8 (0.54) ALDH1A1TSHRTP53MAPK1NPC1
SCHEMBL5871964 0.81 TSHR (0.39) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5872165 0.81 TSHR (0.41) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL16732085 0.78 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4

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 2365/4885LMNA 2666/4885

“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.