SCHEMBL3606028

SCHEMBL3606028

CCC(C)c1ccccc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
RBP4 P02753 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40

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
SCHEMBL3609720 0.85 PDE4D (0.52) LMNAKDM4E
SCHEMBL22838553 0.80 KDM4E (0.48) LMNAKDM4EL3MBTL1ALDH1A1HRH1
SCHEMBL23057958 0.80 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1HTT
SCHEMBL9903544 0.77 EPHX2 (0.62) KDM4EEPHX2HRH1NPY1RNPY2R
SCHEMBL23365281 0.77 EPHX2 (0.62) KDM4EEPHX2NPY1RNPY2RSMN1; SMN2
SCHEMBL3255976 0.77 EPHX2 (0.39) LMNAKDM4EEPHX2NPY1RNPY2R
SCHEMBL3603588 0.76 HRH1 (0.51) KDM4EL3MBTL1HRH1HTT
SCHEMBL27707169 0.76 CHRM3 (0.46) KDM4EEPHX2HRH1NPY1RNPY2R
SCHEMBL2636514 0.74 EPHX2 (0.62) EPHX2
SCHEMBL18043814 0.74 EPHX2 (0.47) LMNAKDM4EEPHX2ALDH1A1HRH1

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 LMNA 898/4885KDM4E 1619/4885L3MBTL1 4290/4885

“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.