SCHEMBL6096037

SCHEMBL6096037

COc1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.48
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ERN1 O75460 5/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL6097240 0.89 TUBB1 (0.38) TUBB1ALDH1A1KDM4ECA2TSHR
SCHEMBL5858967 0.85 ALDH1A1 (0.45) TUBB1ALDH1A1KDM4ETDP1ERN1
SCHEMBL5859822 0.85 ERN1 (0.48) TUBB1CA2ERN1TUBB4ATUBB
SCHEMBL28749394 0.82 ERN1 (0.44) TUBB1ALDH1A1KDM4ECA2ERN1
SCHEMBL5862079 0.82 TYR (0.48) TUBB1CA2ERN1TUBB4ATUBB
SCHEMBL5859038 0.78 ALDH1A1 (0.45) TUBB1ALDH1A1KDM4ETDP1ERN1
SCHEMBL6095819 0.77 CFD (0.50) TUBB1ALDH1A1KDM4ECA2TDP1
SCHEMBL27578082 0.76 ALDH1A1 (0.36) TUBB1ALDH1A1KDM4ETUBB4ATUBB
SCHEMBL29951235 0.74 ALDH1A1 (0.52) TUBB1ALDH1A1KDM4ECA2TSHR
SCHEMBL9681414 0.74 ALDH1A1 (0.52) TUBB1ALDH1A1KDM4ECA2TSHR

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 1243/4885ALDH1A1 1508/4885KDM4E 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.