SCHEMBL6108741

SCHEMBL6108741

CCOc1ccc(Cc2c(C)c(OC)c(C)c(C)c2OC)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CFD P00746 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
FOLH1 Q04609 2/20 0.40
NEK2 P51955 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 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
SCHEMBL6096044 0.85 CFD (0.67) CFDTSHRHSD17B10LMNAMRGPRX4
SCHEMBL6097836 0.82 KLKB1 (0.58) CFDTSHRALDH1A1GAATDP1
SCHEMBL6095819 0.82 CFD (0.50) CFDHSD17B10LMNAMRGPRX4SMN1; SMN2
SCHEMBL9557982 0.81 CFD (0.66) KMT2ACFDTSHRHSD17B10LMNA
SCHEMBL5860287 0.80 FOLH1 (0.57) MRGPRX4SMN1; SMN2L3MBTL1ALDH1A1FOLH1
SCHEMBL6096478 0.78 CFD (0.67) CFDTSHRHSD17B10LMNAMRGPRX4
SCHEMBL6095724 0.78 FOLH1 (0.46) KMT2ACFDTSHRHSD17B10LMNA
SCHEMBL6097875 0.77 CFD (0.45) CFDLMNAMRGPRX4SMN1; SMN2MAPK1
SCHEMBL6098146 0.76 KDM4E (0.48) CFDALDH1A1HTTFOLH1KDM4E
SCHEMBL8471711 0.75 KMT2A (0.60) KMT2ACFDTSHRHSD17B10LMNA

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 KMT2A 2280/4885CFD 2791/4885TSHR 4857/4885

“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.