SCHEMBL6539600

SCHEMBL6539600

COc1ccc(-c2nc(C(=O)CC(C)C)oc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
RCE1 Q9Y256 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GABRA1 P14867 1/20 0.36
SMPD1 P17405 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ACACB O00763 7/20 0.35
ACACA Q13085 5/20 0.35

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
SCHEMBL6208406 0.89 PPARD (0.41) PPARDSMPD1NPC1ALDH1A1LMNA
SCHEMBL6208169 0.88 PPARD (0.42) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6538576 0.88 PPARD (0.41) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6207251 0.87 MEN1 (0.48) PPARDPPARGPPARASMPD1ALDH1A1
SCHEMBL6235990 0.87 PPARD (0.43) PPARDTAAR1RCE1HDAC6NPC1
SCHEMBL6539093 0.83 PPARD (0.40) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6540457 0.82 PPARD (0.41) PPARDTAAR1RCE1HDAC6NPC1
SCHEMBL6232652 0.82 TAAR1 (0.41) PPARDTAAR1RCE1HDAC6ALDH1A1
SCHEMBL6392729 0.80 HPGD (0.46) PPARDTAAR1RCE1PPARAGABRA1
Hydrochloric Acid SCHEMBL6538966 0.80 PPARD (0.39) PPARDSMPD1NPC1ALDH1A1LMNA

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 PPARD 1747/4885TAAR1 1264/4885RCE1 337/4885

“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.