SCHEMBL5859079

SCHEMBL5859079

COc1ccc(-c2ccc(Cc3c(C)c(OC)c(OC)c(OC)c3OC)cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FOLH1 Q04609 2/20 0.43
PTPN11 Q06124 2/20 0.42
BRS3 P32247 2/20 0.42
CYP2C8 P10632 1/20 0.41
PTPN5 P54829 1/20 0.41
LPAR1 Q92633 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 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
SCHEMBL5859262 0.92 FOLH1 (0.52) SMN1; SMN2FOLH1PTPN11BRS3CYP2C8
SCHEMBL5859054 0.89 KDM4E (0.60) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5859106 0.89 SMN1; SMN2 (0.48) SMN1; SMN2FOLH1BRS3CYP2C8PRKAB2
SCHEMBL5859840 0.88 SMN1; SMN2 (0.44) SMN1; SMN2FOLH1PTPN11BRS3ALDH1A1
SCHEMBL5859091 0.83 CYP11B1 (0.42) SMN1; SMN2KDM4ECYP2C9FOLH1EIF4E
SCHEMBL5859081 0.82 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5858995 0.82 PTPN1 (0.43) SMN1; SMN2FOLH1BRS3LPAR1LTB4R2
SCHEMBL5862012 0.81 FOLH1 (0.43) SMN1; SMN2KDM4EFOLH1LPAR1ALDH1A1
SCHEMBL6095819 0.81 CFD (0.50) SMN1; SMN2KDM4EPPARGALDH1A1
SCHEMBL6095110 0.81 KLKB1 (0.58) ALDH1A1

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-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
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 SMN1; SMN2 3711/4885KDM4E 652/4885CYP1A2 1384/4885

“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.