SCHEMBL2963048

SCHEMBL2963048

CC(C)COC(=O)CCc1cc(C(=O)c2ccc(OCCc3ccc([N+](=O)[O-])cc3)cc2O)ccc1OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.46
FOS P01100 2/20 0.46
MAPT P10636 4/20 0.39
MAOB P27338 1/20 0.36
UGT1A1 P22309 1/20 0.36
UGT1A3 P35503 1/20 0.36
UGT1A8 Q9HAW9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARD Q03181 2/20 0.36
KCNH2 Q12809 3/20 0.36
HTR2A P28223 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL2961533 0.89 JUN (0.48) JUNFOSUGT1A1UGT1A3UGT1A8
SCHEMBL2959661 0.81 FOS (0.53) JUNFOSMAPTALDH1A1KMT2A
SCHEMBL4285838 0.80 JUN (0.52) JUNFOSUGT1A1UGT1A3UGT1A8
SCHEMBL4277010 0.79 JUN (0.61) JUNFOSMAPTUGT1A1UGT1A3
SCHEMBL2959153 0.77 JUN (0.54) JUNFOSMAPTUGT1A1UGT1A3
SCHEMBL4291386 0.77 JUN (0.52) JUNFOSUGT1A1UGT1A3UGT1A8
SCHEMBL4279563 0.77 JUN (0.76) JUNFOSMAPTUGT1A1UGT1A3
SCHEMBL4282160 0.76 JUN (0.66) JUNFOSUGT1A1UGT1A3UGT1A8
SCHEMBL2963557 0.75 JUN (0.47) JUNFOSUGT1A1UGT1A3UGT1A8
SCHEMBL4276443 0.74 FOS (0.62) JUNFOSMAPTALDH1A1KMT2A

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 JUN 3/4885FOS 163/4885MAPT 4708/4885

“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.