SCHEMBL6097233

SCHEMBL6097233

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)N[C@@H](C)c3ccccc3)c2)=C(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
ELANE P08246 1/20 0.46
POLB P06746 2/20 0.45
PDE10A Q9Y233 1/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6095723 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5862102 0.84 ROCK1 (0.46) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL5859301 0.84 ROCK1 (0.46) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL6096932 0.81 KLKB1 (0.55) ALDH1A1LMNA
SCHEMBL6094565 0.78 TAS1R3 (0.42) ALDH1A1KDM4EHPGDLMNARAB9A
SCHEMBL5731213 0.78 KMT2A (0.58) ALDH1A1KDM4EHPGDLMNARAB9A
SCHEMBL5730915 0.78 KMT2A (0.58) ALDH1A1KDM4EHPGDLMNARAB9A
SCHEMBL6096291 0.78 F2 (0.43) KDM4EHSD17B10LMNAPOLBRAB9A
SCHEMBL6093802 0.78 NPC1 (0.52) ALDH1A1KDM4EHPGDLMNAPOLB
SCHEMBL6094680 0.77 KCNMA1 (0.51) ALDH1A1KDM4ELMNARAB9AKMT2A

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 ALDH1A1 1508/4885KDM4E 1491/4885HPGD 604/4885

“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.