SCHEMBL5860413

SCHEMBL5860413

COC(=O)c1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
SLC6A2 P23975 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5859081 0.91 KDM4E (0.47) PDCD1CD274SLC6A3SLC6A4GABRA1
SCHEMBL5858995 0.91 PTPN1 (0.43) NR1H4LTB4R2THRATHRBHDAC7
SCHEMBL5859201 0.88 SLC2A1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5859262 0.83 FOLH1 (0.52) NR1H4HSD17B10LTB4R2HTT
SCHEMBL5862144 0.82 CA12 (0.48) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL5859054 0.81 KDM4E (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5859832 0.81 FFAR4 (0.47) KDM4EHPGDALDH1A1MAPTCYP2C9
SCHEMBL5859147 0.80 MKNK1 (0.43) KDM4ECYP2C9HTT
SCHEMBL5859154 0.80 KDM4E (0.49) PDCD1CD274SLC6A3SLC6A4SLC6A2
SCHEMBL6097784 0.80 HPGD (0.41) KDM4EHPGDALDH1A1GAAMAPT

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-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 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
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 CN 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

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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB PDCD1 2907/4885CD274 3356/4885SLC6A3 4134/4885

“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.