SCHEMBL6539712

SCHEMBL6539712

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
PPARD Q03181 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MAPT P10636 3/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
IKBKE Q14164 1/20 0.42
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6539387 0.88 PPARD (0.47) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6207736 0.83 NPSR1 (0.54) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6236506 0.82 PPARD (0.43) NPSR1ALDH1A1PPARDMAPTMEN1
SCHEMBL6208499 0.82 NPSR1 (0.56) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6538977 0.82 LMNA (0.50) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6233752 0.82 LMNA (0.50) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6538831 0.82 ESR2 (0.47) NPSR1ALDH1A1PPARDMAPTMEN1
SCHEMBL6232537 0.81 KMT2A (0.41) NPSR1ALDH1A1PPARDMAPTMEN1
SCHEMBL6231803 0.81 PPARD (0.54) NPSR1ALDH1A1LMNAHTTPPARD
SCHEMBL6539039 0.81 NPSR1 (0.54) NPSR1ALDH1A1LMNAHTTPPARD

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 NPSR1 884/4885ALDH1A1 163/4885LMNA 2620/4885

“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.