SCHEMBL5859000

SCHEMBL5859000

COC1=C(OC)C(=O)C(Cc2ccc(-c3ccncc3)c(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 7/20 0.42
FOLH1 Q04609 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.38
IKBKB O14920 1/20 0.38
BRS3 P32247 2/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPK1 P28482 1/20 0.36
AVPR2 P30518 1/20 0.36

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
SCHEMBL5859203 0.91 FOLH1 (0.51) FOLH1SMN1; SMN2BRS3LTB4RLTB4R2
SCHEMBL5859335 0.89 TBXAS1 (0.45) FOLH1CYP19A1LMNACYP2C9MAPK1
SCHEMBL5859158 0.88 SMN1; SMN2 (0.55) FOLH1SMN1; SMN2BRS3LTB4R2LMNA
SCHEMBL5859051 0.84 CYP46A1 (0.39) CYP46A1SMN1; SMN2CYP19A1MAPK1HTT
SCHEMBL5859246 0.84 CYP46A1 (0.49) CYP46A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL5859129 0.84 CCR3 (0.39) CYP46A1
SCHEMBL5862102 0.84 ROCK1 (0.46) CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL5859301 0.84 ROCK1 (0.46) CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL5858838 0.84 SMN1; SMN2 (0.44) FOLH1SMN1; SMN2BRS3
SCHEMBL5859279 0.83 CYP3A4 (0.48) SMN1; SMN2LMNACYP3A4CYP2D6MAPT

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 CYP46A1 709/4885FOLH1 4276/4885SMN1; SMN2 3711/4885

“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.