SCHEMBL5871830

SCHEMBL5871830

CCCCCOC(=O)C(=Cc1[c]c(C=C(C(=O)OCCCCC)C(=O)OCCCCC)ccc1)C(=O)OCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP2 P08253 1/20 0.41
MAPT P10636 4/20 0.40
PLIN1 O60240 1/20 0.40
PLIN5 Q00G26 1/20 0.40

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
SCHEMBL5871856 0.84 TSHR (0.42) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL5871431 0.78 MEN1 (0.43) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL15913547 0.78 TSHR (0.49) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL5871984 0.77 TSHR (0.41) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL5871779 0.77 MEN1 (0.50) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL5872051 0.75 MEN1 (0.49) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL28489704 0.75 KMT2A (0.49) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL15673155 0.75 KMT2A (0.70) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL10898416 0.74 KMT2A (0.59) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL10898426 0.74 KMT2A (0.59) TSHRCYP3A4TP53MAPK1ALDH1A1

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 2365/4885CYP3A4 858/4885TP53 4064/4885

“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.