SCHEMBL966660

SCHEMBL966660

CC/C(=C\c1c(C)nn(C)c1-c1cccc2cccnc12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TP53 P04637 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
TBXAS1 P24557 2/20 0.34
TSHR P16473 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL966661 1.00 KDM4E (0.36) KDM4EMAPTNPSR1TDP1GAA
SCHEMBL965207 0.81 ALDH1A1 (0.48) KDM4EMAPTNPSR1TDP1GAA
SCHEMBL965204 0.81 ALDH1A1 (0.48) KDM4EMAPTNPSR1TDP1GAA
SCHEMBL964359 0.80 ERN1 (0.43) KDM4EMAPTNPSR1TDP1GAA
SCHEMBL966646 0.78 ALDH1A1 (0.41) KDM4EMAPTNPSR1TDP1GAA
SCHEMBL962302 0.74 PARP1 (0.38) ALDH1A1SLC22A12TBXAS1SMN1; SMN2L3MBTL1
SCHEMBL962301 0.74 PARP1 (0.38) ALDH1A1SLC22A12TBXAS1SMN1; SMN2L3MBTL1
SCHEMBL962749 0.74 ATM (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL962750 0.74 ATM (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL966731 0.72 PPARG (0.39) KDM4EMAPTTSHRPTGDR2

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 KDM4E 1776/4885MAPT 4720/4885NPSR1 814/4885

“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.