SCHEMBL6096112

SCHEMBL6096112

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.50
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
SCN8A Q9UQD0 4/20 0.40
SCN10A Q9Y5Y9 3/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CFD P00746 1/20 0.39
CCR5 P51681 2/20 0.39
LRRK2 Q5S007 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL6096625 0.93 P2RX1 (0.44) PPARASCN8ASCN10ALMNACFD
SCHEMBL6094471 0.91 RXFP1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6096885 0.91 PPARA (0.48) PPARAALDH1A1HTTNPSR1CYP1A2
SCHEMBL6095894 0.90 CA1 (0.42) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL6098348 0.89 CCR5 (0.48) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL6095797 0.89 CA1 (0.42) PPARAALDH1A1HTTNPSR1CYP1A2
SCHEMBL6095530 0.88 ALDH1A1 (0.47) ALDH1A1HTTNPSR1KDM4ELMNA
SCHEMBL6094337 0.88 CCR5 (0.43) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL6095718 0.87 PKM (0.52) ALDH1A1HTTNPSR1CYP1A2CYP3A4
SCHEMBL6097613 0.87 KMT2A (0.47) ALDH1A1HTTNPSR1CYP1A2CYP3A4

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 1876/4885ALDH1A1 1508/4885HTT 3970/4885

“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.