SCHEMBL2961597

SCHEMBL2961597

CC(C)COc1ccccc1C=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.61
PTGER3 P43115 3/20 0.61
PTGER2 P43116 3/20 0.61
PTGER1 P34995 2/20 0.61
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
AKR1C3 P42330 1/20 0.52
NFE2L2 Q16236 2/20 0.49
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
TFEB P19484 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA4 P22748 1/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
PLA2G1B P04054 1/20 0.47

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
SCHEMBL2961596 1.00 PTGER4 (0.61) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL11683166 0.90 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL11683167 0.90 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL8161667 0.87 MAPT (0.65) PTGER4PTGER3PTGER2PTGER1SMN1; SMN2
SCHEMBL8161669 0.87 MAPT (0.65) PTGER4PTGER3PTGER2PTGER1SMN1; SMN2
SCHEMBL755995 0.87 PTGER3 (0.59) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL5147040 0.85 PTGER4 (0.54) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL4278586 0.83 ALDH1A1 (0.48) PTGER4PTGER3PTGER2PTGER1KDM4E
SCHEMBL4278583 0.83 ALDH1A1 (0.48) PTGER4PTGER3PTGER2PTGER1KDM4E
SCHEMBL1536281 0.83 PTGER1 (0.66) PTGER4PTGER3PTGER2PTGER1HTT

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 PTGER4 3176/4885PTGER3 3194/4885PTGER2 3070/4885

“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.