SCHEMBL6646141

SCHEMBL6646141

COC(=O)c1cccc2c1N(C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TRPA1 O75762 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL6643060 0.83 NOTUM (0.44) L3MBTL1ALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL6649352 0.82 HRH3 (0.47) L3MBTL1ALDH1A1HPGDLMNAKDM4E
SCHEMBL13858089 0.80 KDM4E (0.38) L3MBTL1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5016207 0.77 NOTUM (0.46) ALDH1A1HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL7683268 0.75 TSHR (0.51) ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL6646694 0.74 ALDH1A1 (0.40) L3MBTL1ALDH1A1HPGDLMNAKDM4E
Dimethyl Phthalate SCHEMBL27880958 0.74 TSHR (0.55) ALDH1A1HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL31305927 0.73 TRPA1 (0.49) L3MBTL1ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL7408640 0.73 TRPA1 (0.49) L3MBTL1ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL14852694 0.73 HTR2C (0.50) ALOX12MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR L3MBTL1 1609/4885ALDH1A1 2174/4885HPGD 3946/4885

“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.