SCHEMBL2962804

SCHEMBL2962804

COC(=O)CCc1cc(C(=O)c2ccc(OC(C)C)cc2O)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
PGR P06401 2/20 0.42
SLC6A2 P23975 2/20 0.42
CYP2D6 P10635 1/20 0.42
PDE4A P27815 1/20 0.42
HRH1 P35367 1/20 0.42
HTT P42858 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PDE4D Q08499 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
HIF1A Q16665 2/20 0.39

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
SCHEMBL2954382 0.91 JUN (0.43) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL27613406 0.90 HPGD (0.40) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2956728 0.87 TP53 (0.49) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2954683 0.82 CYP1A2 (0.40) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2969937 0.82 JUN (0.43) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL1100403 0.82 JUN (0.52) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2960332 0.82 JUN (0.55) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2968397 0.81 FOS (0.51) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL4277010 0.80 JUN (0.61) HPGDALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL2968731 0.78 JUN (0.70) HPGDALDH1A1CYP1A2CYP2C19MAPK1

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 HPGD 3109/4885ALDH1A1 1493/4885CYP1A2 2139/4885

“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.