SCHEMBL6094330

SCHEMBL6094330

CCC(C(=O)O)C1c2cc(Cl)c(Cl)cc2C(=O)N1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.40
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
TRPA1 O75762 1/20 0.33
KCNA5 P22460 2/20 0.30
P2RX7 Q99572 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MCL1 Q07820 2/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL6092919 0.86 MDM2 (0.39) FFAR1KDM4EPOLBALOX15TRPA1
SCHEMBL6092194 0.82 KDM4E (0.37) FFAR1KDM4EPOLBALOX15
SCHEMBL6092904 0.82 FFAR1 (0.36) FFAR1KDM4EPOLBALOX15
SCHEMBL6094362 0.80 FFAR1 (0.44) FFAR1KCNA5TDP1
SCHEMBL6090274 0.79 KDM4E (0.35) FFAR1KDM4EPOLBALOX15KCNA5
SCHEMBL5693140 0.77 HPGD (0.40) FFAR1KDM4EPOLBALOX15AADAT
SCHEMBL4484789 0.77 HPGD (0.40) FFAR1KDM4EPOLBALOX15AADAT
SCHEMBL4473812 0.73 FFAR1 (0.35) FFAR1KDM4EPOLBALOX15AADAT
SCHEMBL6091066 0.72 PARP1 (0.34) FFAR1TRPA1MDM2
SCHEMBL6095195 0.69 TRPA1 (0.33) TRPA1

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 FFAR1 2288/4885KDM4E 4143/4885POLB 1575/4885

“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.