SCHEMBL10286121

SCHEMBL10286121

CCOc1cc(C)nc2c1CCCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
ELANE P08246 1/20 0.33
ALOX15 P16050 1/20 0.33
GRM2 Q14416 3/20 0.33
HPGD P15428 2/20 0.33
S1PR1 P21453 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10286444 0.97 RXFP1 (0.39) RXFP1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL10286107 0.85 RXFP1 (0.39) RXFP1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL10286100 0.83 L3MBTL1 (0.36) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL10286127 0.83 MAPT (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10286171 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10286502 0.82 ALDH1A1 (0.39) RXFP1SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL10286493 0.81 L3MBTL1 (0.36) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL10286891 0.81 UGCG (0.40) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL10286508 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10286477 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO RXFP1 2356/4885SMN1; SMN2 4477/4885ALDH1A1 1110/4885

“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.