SCHEMBL5862079

SCHEMBL5862079

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.48
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40

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
SCHEMBL5859822 0.89 ERN1 (0.48) TYRTRIM24TRIM33CA1CA2
SCHEMBL6096037 0.82 TUBB1 (0.48) CA2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6096927 0.78 PPARA (0.45) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL5859169 0.78 ESR2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5862144 0.77 CA12 (0.48) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL6097240 0.77 TUBB1 (0.38) CA2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5859038 0.77 ALDH1A1 (0.45) TUBB1ERN1
SCHEMBL28422538 0.77 TYR (0.70) TYRTRIM24TRIM33ERN1
SCHEMBL28749394 0.76 ERN1 (0.44) CA1CA2TUBB1ERN1
SCHEMBL6095110 0.76 KLKB1 (0.58) CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
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
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP 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
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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 (2 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 TYR 3830/4885TRIM24 269/4885TRIM33 2482/4885
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB TYR 3466/4885TRIM24 1778/4885TRIM33 4028/4885

“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.