SCHEMBL6096751

SCHEMBL6096751

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(OC)nc3OC)c2)=C(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
P2RX7 Q99572 1/20 0.35
BRD4 O60885 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL6095116 0.88 SMN1; SMN2 (0.40) TSHRALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL6094733 0.87 ALDH1A1 (0.40) CFDTSHRALDH1A1HTTMAPT
SCHEMBL6099250 0.83 LMNA (0.54) TSHRALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL6094998 0.82 MEN1 (0.49) TSHRALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL6094781 0.82 NPC1 (0.40) CFDTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6096496 0.82 SORT1 (0.40) CFDTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6095715 0.81 PDE4A (0.49) CFDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL6098348 0.80 CCR5 (0.48) CFDALDH1A1HTTHPGDKDM4E
SCHEMBL6097613 0.80 KMT2A (0.47) CFDALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL6095754 0.80 GAA (0.41) CFDALDH1A1HTTSMN1; SMN2MAPT

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 CFD 2791/4885TSHR 4857/4885ALDH1A1 1508/4885

“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.