SCHEMBL6540382

SCHEMBL6540382

CCOCCOc1nc(-c2ccc(OC)cc2)c(-c2ccc(OCCNC(N)=O)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 5/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
BTK Q06187 1/20 0.37
SLC9A3 P48764 1/20 0.37
PTGS2 P35354 2/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TARBP2 Q15633 1/20 0.36
PDCD4 Q53EL6 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL6539412 0.92 MTNR1A (0.45) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6277656 0.90 PPARD (0.39) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539856 0.89 MTNR1A (0.48) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539805 0.89 MTNR1A (0.44) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539756 0.85 MTNR1A (0.44) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539064 0.85 MTNR1A (0.42) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539042 0.85 MTNR1A (0.42) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539778 0.81 KDM4E (0.42) ALDH1A1MTNR1AMTNR1BPPARDKMT2A
SCHEMBL6254853 0.81 ALDH1A1 (0.50) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL6539622 0.81 MTNR1A (0.44) ALDH1A1MTNR1AMTNR1BHPGDSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ALDH1A1 163/4885MTNR1A 410/4885MTNR1B 474/4885

“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.