SCHEMBL6095754

SCHEMBL6095754

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccccc3C(F)(F)F)c2)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
PDE4D Q08499 1/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CFD P00746 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6095954 0.87 GAA (0.43) GAAPDE4DKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6096625 0.85 P2RX1 (0.44) RXFP1CFDLMNAMAPT
SCHEMBL6096112 0.85 PPARA (0.50) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6094471 0.83 RXFP1 (0.50) KMT2ASMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL6098882 0.83 KMT2A (0.44) GAAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6094998 0.83 MEN1 (0.49) GAAKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6094733 0.82 ALDH1A1 (0.40) PDE4DKMT2AALDH1A1POLBKDM4E
SCHEMBL6095894 0.82 CA1 (0.42) KMT2ASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL6095715 0.82 PDE4A (0.49) PDE4DKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL6095797 0.81 CA1 (0.42) KMT2ASMN1; SMN2ALDH1A1POLBKDM4E

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 GAA 781/4885PDE4D 4460/4885KMT2A 2280/4885

“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.