SCHEMBL6096470

SCHEMBL6096470

CCOC(=O)c1ccc(NC(=O)c2cc(CC3=C(C)C(=O)C(OC)=C(OC)C3=O)ccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
GAA P10253 3/20 0.49
MAOA P21397 1/20 0.46
MAPT P10636 6/20 0.46
MAPK1 P28482 4/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL6096291 0.89 F2 (0.43) HSD17B10KDM4ELMNAMEN1KMT2A
SCHEMBL6096550 0.89 PLAU (0.43) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL6096859 0.89 STAT3 (0.45) SMN1; SMN2HSD17B10KDM4ELMNAHPGD
SCHEMBL6097238 0.87 ALDH1A1 (0.46) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL6093802 0.87 NPC1 (0.52) KDM4ELMNAHPGDMEN1KMT2A
SCHEMBL6097073 0.86 KLKB1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6097408 0.86 P2RX1 (0.51) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL6097223 0.86 P2RX1 (0.47) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL6095585 0.84 KCNMA1 (0.47) SMN1; SMN2KDM4ELMNAHTTMEN1
SCHEMBL6096672 0.84 TMPRSS4 (0.50) MEN1KMT2ANPC1RAB9AMAPT

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 SMN1; SMN2 4307/4885HSD17B10 931/4885KDM4E 1491/4885

“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.