SCHEMBL5364639

SCHEMBL5364639

COC(=O)COc1nc(OC)cc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 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
SCHEMBL5355158 0.84 LMNA (0.51) TSHRCYP1A2LMNATDP1KDM4E
SCHEMBL9052757 0.83 LMNA (0.41) TSHRCYP1A2LMNATDP1KDM4E
SCHEMBL6641067 0.79 POLB (0.60) TSHRCYP1A2LMNAKDM4EALDH1A1
SCHEMBL12095254 0.78 CYP1A2 (0.41) CYP1A2LMNATDP1KDM4EALDH1A1
SCHEMBL6638773 0.78 SMN1; SMN2 (0.65) TSHRCYP1A2LMNAKDM4EALDH1A1
SCHEMBL18531914 0.77 LMNA (0.41) CYP1A2LMNATDP1KDM4EALDH1A1
SCHEMBL8686002 0.74 CYP1A2 (0.50) CYP1A2LMNATDP1KDM4EALDH1A1
SCHEMBL27716808 0.74 CYP1A2 (0.46) CYP1A2LMNATDP1KDM4EALDH1A1
SCHEMBL12095217 0.73 EDNRB (0.44) CYP1A2LMNATDP1KDM4EALDH1A1
SCHEMBL12095211 0.73 KDM4E (0.45) CYP1A2LMNATDP1KDM4EALDH1A1

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-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 TSHR 768/4885CYP1A2 600/4885LMNA 983/4885

“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.