SCHEMBL6096885

SCHEMBL6096885

CC(=O)Oc1ccc(CC2=C(C)C(=O)C(C)=C(C)C2=O)cc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
CFD P00746 1/20 0.42
CCR5 P51681 2/20 0.41
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 1/20 0.40
THRB P10828 1/20 0.40
PIM1 P11309 1/20 0.40
MAOA P21397 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
SCHEMBL6096112 0.91 PPARA (0.50) PPARACFDCCR5CYP2C19CYP1A2
SCHEMBL6096864 0.85 TMPRSS4 (0.55) PPARACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL6096625 0.83 P2RX1 (0.44) PPARACFDLMNAMAPTSCN8A
SCHEMBL6094471 0.82 RXFP1 (0.50) CYP2C19CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL6095894 0.80 CA1 (0.42) CFDCCR5CYP2C19CYP1A2CYP3A4
SCHEMBL6095797 0.79 CA1 (0.42) PPARACFDCYP2C19CYP1A2CYP3A4
SCHEMBL6098348 0.79 CCR5 (0.48) CFDCCR5CYP2C19CYP1A2CYP3A4
SCHEMBL6095530 0.78 ALDH1A1 (0.47) CFDHTTNPSR1ALDH1A1NPC1
SCHEMBL6094337 0.78 CCR5 (0.43) CFDCCR5CYP2C19CYP1A2CYP3A4
SCHEMBL6095136 0.78 CFD (0.70) CFDCYP2C19CYP1A2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB PPARA 1876/4885CFD 2791/4885CCR5 4329/4885

“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.