SCHEMBL5859909

SCHEMBL5859909

COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
SMPD1 P17405 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN6 P29350 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5859832 0.91 FFAR4 (0.47) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL5860287 0.91 FOLH1 (0.57) FOLH1SMN1; SMN2MAPTL3MBTL1CYP2C9
SCHEMBL6096129 0.89 PLK1 (0.40) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL6097409 0.88 LRRK2 (0.45) L3MBTL1CYP2C19LMNAHPGDSMPD1
SCHEMBL27581191 0.88 MAPT (0.47) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL27581102 0.87 ALDH1A1 (0.46) SMN1; SMN2MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL6097784 0.86 HPGD (0.41) MAPTTDP1LMNAHPGDALDH1A1
SCHEMBL5859872 0.84 MCL1 (0.53) FOLH1SMN1; SMN2MAPTL3MBTL1CYP2C9
SCHEMBL6094310 0.84 LRRK2 (0.55) SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6095053 0.83 SCN9A (0.53) FOLH1SMN1; SMN2MAPTLMNAHPGD

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 FOLH1 4276/4885SMN1; SMN2 3711/4885MAPT 4242/4885

“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.