SCHEMBL6090274

SCHEMBL6090274

CCC(C(=O)O)C1c2ccc(OC(C)C)cc2C(=O)N1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAP3K5 Q99683 2/20 0.33
S1PR1 P21453 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
FFAR4 Q5NUL3 6/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6092194 0.85 KDM4E (0.37) KDM4EPOLBALOX15ALDH1A1L3MBTL1
SCHEMBL6092919 0.84 MDM2 (0.39) KDM4EPOLBALOX15FFAR1KCNA5
SCHEMBL6092501 0.84 KDM4E (0.36) KDM4EPOLBALOX15ALDH1A1KMT2A
SCHEMBL6092633 0.82 DNMT1 (0.39) KDM4EPOLBALOX15ALDH1A1L3MBTL1
SCHEMBL6090159 0.81 CACNA1B (0.38) KDM4EPOLBALOX15PPARGPPARA
SCHEMBL6094362 0.81 FFAR1 (0.44) KMT2AFFAR1KCNA5KCNH2
SCHEMBL6094330 0.79 FFAR1 (0.40) KDM4EPOLBALOX15FFAR1KCNA5
SCHEMBL4474014 0.78 FFAR4 (0.40) KDM4EPOLBALOX15ALDH1A1L3MBTL1
SCHEMBL6092904 0.78 FFAR1 (0.36) KDM4EPOLBALOX15ALDH1A1L3MBTL1
SCHEMBL27552569 0.75 IDO1 (0.38) KDM4EPOLBALDH1A1L3MBTL1KMT2A

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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 KDM4E 4143/4885POLB 1575/4885ALOX15 409/4885

“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.