SCHEMBL2964491

SCHEMBL2964491

COc1cc(C2CCCC2)ccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PDE4B Q07343 8/20 0.49
PDE4A P27815 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
QDPR P09417 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
VEGFA P15692 1/20 0.42
CYP1A2 P05177 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
SCHEMBL28259301 0.93 ALDH1A1 (0.56) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL11154458 0.86 PDE4B (0.48) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL27403855 0.86 ALDH1A1 (0.45) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL15156410 0.85 QDPR (0.63) ALDH1A1PDE4BPDE4APDE4CPDE4D
Formic Acid SCHEMBL28266826 0.81 PDE4B (0.52) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL9188312 0.79 NR3C1 (0.60) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL16243012 0.78 NPM1 (0.47) ALDH1A1PDE4BL3MBTL1QDPR
SCHEMBL15156631 0.78 NPM1 (0.47) ALDH1A1PDE4BL3MBTL1QDPR
SCHEMBL15156791 0.78 NPM1 (0.47) ALDH1A1PDE4BL3MBTL1QDPR
SCHEMBL9325871 0.78 PDE4A (0.59) ALDH1A1PDE4BPDE4APDE4CPDE4D

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 9 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
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN 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
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN 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 ALDH1A1 1493/4885PDE4B 3792/4885PDE4A 3269/4885

“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.