SCHEMBL5859262

SCHEMBL5859262

COc1c(C)c(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)c(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
LTB4R2 Q9NPC1 2/20 0.45
LTB4R Q15722 1/20 0.45
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
LPAR1 Q92633 1/20 0.41
BRS3 P32247 2/20 0.40
CYP2C8 P10632 1/20 0.39
HTT P42858 1/20 0.39
HNF4A P41235 1/20 0.39
PTPN11 Q06124 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5859079 0.92 SMN1; SMN2 (0.59) FOLH1SMN1; SMN2LTB4R2LPAR1BRS3
SCHEMBL5859081 0.91 KDM4E (0.47) FOLH1LTB4R2HTTNR1H4HSD17B10
SCHEMBL5858995 0.90 PTPN1 (0.43) FOLH1SMN1; SMN2LTB4R2PTPN1PTPN2
SCHEMBL5859106 0.90 SMN1; SMN2 (0.48) FOLH1SMN1; SMN2BRS3CYP2C8
SCHEMBL5859840 0.90 SMN1; SMN2 (0.44) FOLH1SMN1; SMN2BRS3HTTPTPN11
SCHEMBL5859091 0.89 CYP11B1 (0.42) FOLH1SMN1; SMN2HTT
SCHEMBL5862012 0.87 FOLH1 (0.43) FOLH1SMN1; SMN2LPAR1HSD17B10
SCHEMBL5860413 0.83 PDCD1 (0.43) LTB4R2HTTNR1H4HSD17B10
SCHEMBL6095819 0.82 CFD (0.50) SMN1; SMN2HSD17B10
SCHEMBL6095110 0.82 KLKB1 (0.58) HNF4A

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 FOLH1 4276/4885SMN1; SMN2 3711/4885LTB4R2 1376/4885

“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.