SCHEMBL966155

SCHEMBL966155

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSP90AA1 P07900 1/20 0.44
SRD5A2 P31213 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PTGER3 P43115 1/20 0.38
PTGDR Q13258 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTR7 P34969 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL963158 0.91 PTGER3 (0.47) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL963155 0.91 PTGER3 (0.47) MEN1KMT2AHSP90AA1SRD5A2NPC1
SCHEMBL966841 0.90 CCNC (0.38) MCL1
SCHEMBL961608 0.87 MCL1 (0.38) MEN1KMT2APKMSMN1; SMN2MCL1
SCHEMBL963541 0.87 CYP1A2 (0.43) ALDH1A1MAOBROCK1
SCHEMBL963486 0.86 MCL1 (0.37) KMT2AMCL1
SCHEMBL962379 0.85 PIM3 (0.39) MCL1
SCHEMBL962073 0.85 ACACB (0.36) MCL1
SCHEMBL967493 0.85 CA12 (0.42) NPC1RAB9AALDH1A1MAOBSMN1; SMN2
SCHEMBL965949 0.85 NPC1 (0.53) MEN1KMT2ASRD5A2NPC1RAB9A

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MEN1 4766/4885KMT2A 2017/4885HSP90AA1 1630/4885

“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.