SCHEMBL6097240

SCHEMBL6097240

COc1c(C)c(Cc2ccc(OC(C)C)c(C=O)c2)c(OC)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.38
ERN1 O75460 3/20 0.37
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
CSNK2A1 P68400 2/20 0.33
TSHR P16473 2/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL6096037 0.89 TUBB1 (0.48) TUBB1ERN1ALDH1A1KDM4EGAA
SCHEMBL5858967 0.80 ALDH1A1 (0.45) TUBB1ERN1ALDH1A1KDM4EGAA
SCHEMBL5859822 0.80 ERN1 (0.48) TUBB1ERN1CA2TUBB4ATUBB
SCHEMBL6097875 0.80 CFD (0.45) ALDH1A1TDP1LMNASMN1; SMN2MAPT
SCHEMBL5862079 0.77 TYR (0.48) TUBB1ERN1CA2TUBB4ATUBB
SCHEMBL28749394 0.74 ERN1 (0.44) TUBB1ERN1ALDH1A1KDM4EGAA
SCHEMBL5859038 0.73 ALDH1A1 (0.45) TUBB1ERN1ALDH1A1KDM4EHTT
SCHEMBL27578082 0.71 ALDH1A1 (0.36) TUBB1ALDH1A1KDM4EGAAHTT
SCHEMBL27945949 0.70 ALDH1A1 (0.56) TUBB1ERN1ALDH1A1KDM4EHTT
SCHEMBL6095819 0.69 CFD (0.50) TUBB1ALDH1A1KDM4EGAACA2

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 3 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 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 TUBB1 1243/4885ERN1 1090/4885ALDH1A1 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.