SCHEMBL6092633

SCHEMBL6092633

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.39
MCL1 Q07820 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
TNF P01375 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 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
SCHEMBL6090159 0.90 CACNA1B (0.38) KDM4EPOLBALOX15PPARGPPARA
SCHEMBL6092194 0.85 KDM4E (0.37) CA12CA1CA9KDM4EPOLB
SCHEMBL6092501 0.84 KDM4E (0.36) DNMT1MCL1KDM4EPOLBALOX15
SCHEMBL6092919 0.84 MDM2 (0.39) MCL1KDM4EPOLBALOX15FFAR1
SCHEMBL6090274 0.82 KDM4E (0.35) KDM4EPOLBALOX15PPARGPPARA
SCHEMBL6094362 0.81 FFAR1 (0.44) FFAR1KCNA5
SCHEMBL6094330 0.79 FFAR1 (0.40) MCL1KDM4EPOLBALOX15FFAR1
SCHEMBL4486595 0.78 KDM4E (0.43) DNMT1MCL1CA12CA1CA9
SCHEMBL4466929 0.78 DNMT1 (0.38) DNMT1MCL1CA12CA1CA9
SCHEMBL6092904 0.78 FFAR1 (0.36) CA12CA1CA9KDM4EPOLB

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 DNMT1 3213/4885MCL1 1220/4885CA12 4697/4885

“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.