SCHEMBL2959588

SCHEMBL2959588

CCC(=Cc1ccc(CO)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PPARG P37231 2/20 0.43
EPHX2 P34913 1/20 0.43
ESR1 P03372 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GRIK1 P39086 1/20 0.40
AKR1C3 P42330 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC2 Q92769 1/20 0.39
RECQL P46063 1/20 0.39
PPARA Q07869 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
SCHEMBL5173409 0.89 TBXAS1 (0.58) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL2771944 0.83 TBXAS1 (0.74) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL2771941 0.83 TBXAS1 (0.74) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL2673972 0.81 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL3128764 0.81 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL2271804 0.81 TBXAS1 (0.56) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL5993797 0.81 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL15056885 0.81 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL2673966 0.81 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9PPARGEPHX2
SCHEMBL10349544 0.81 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9PPARGEPHX2

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
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN TBXAS1 1227/4885CYP3A4 2819/4885CYP2C9 3492/4885

“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.