SCHEMBL5871668

SCHEMBL5871668

CCCCOC(=O)C(Cc1cc[c]cc1)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MMP8 P22894 1/20 0.39
LDHA P00338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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 0.95 TSHR (0.44) TSHRL3MBTL1TDP1MAPK1LMNA
SCHEMBL5871978 0.94 ALDH1A1 (0.45) TSHRMAPK1LMNASMN1; SMN2ESR1
SCHEMBL5872172 0.90 MMP8 (0.41) TSHRL3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL16732085 0.84 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1LMNA
SCHEMBL5872055 0.83 MMP8 (0.54) TSHRL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL28665644 0.79 TSHR (0.54) TSHRL3MBTL1TDP1MAPK1LMNA
SCHEMBL28797237 0.79 LDHA (0.59) TSHRMAPK1LMNACYP2D6CYP3A4
SCHEMBL5871840 0.78 PTPRB (0.54) CYP2C19ESR1CYP2C9ALDH1A1MMP8
SCHEMBL14680133 0.78 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1LMNA
SCHEMBL28054295 0.78 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1LMNA

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 TSHR 2365/4885L3MBTL1 1727/4885TDP1 727/4885

“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.