SCHEMBL966646

SCHEMBL966646

CCOC(=O)/C=C/c1c(C)nn(C)c1-c1cccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
POLB P06746 4/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 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
SCHEMBL965207 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHTTNPSR1LMNA
SCHEMBL965204 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHTTNPSR1LMNA
SCHEMBL964359 0.79 ERN1 (0.43) ALDH1A1KDM4EHTTTP53NPSR1
SCHEMBL966731 0.79 PPARG (0.39) KDM4EKMT2AMEN1MAPT
SCHEMBL966729 0.79 PPARG (0.39) KDM4EKMT2AMEN1MAPT
SCHEMBL966660 0.78 KDM4E (0.36) ALDH1A1KDM4EHTTTP53HPGD
SCHEMBL29001854 0.75 BACE1 (0.55) ALDH1A1KDM4EHTTTP53HPGD
SCHEMBL962300 0.75 LMNA (0.38) ALDH1A1TP53LMNAL3MBTL1CCNC
SCHEMBL962748 0.74 ALDH1A1 (0.42) ALDH1A1HPGDLMNAMAPTNPC1
SCHEMBL27772656 0.74 LMNA (0.36) ALDH1A1KDM4EHTTTP53HPGD

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 ALDH1A1 821/4885KDM4E 1776/4885HTT 3799/4885

“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.