SCHEMBL2968412

SCHEMBL2968412

C(=C1CCCC1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.61
MAOA P21397 5/20 0.61
LCK P06239 1/20 0.58
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCND1 P24385 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
MMP13 P45452 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
CNR2 P34972 1/20 0.49
GPR18 Q14330 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3438309 0.82 MAOB (0.58) MAOBMAOALCKCCNB2CDK1
SCHEMBL3438311 0.82 MAOB (0.58) MAOBMAOALCKCCNB2CDK1
SCHEMBL17684909 0.80 ALDH1A1 (0.50) MAOBMAOAKDM4EALDH1A1TLR4
Trifluoroacetic Acid SCHEMBL1011579 0.78 KDM4E (0.54) MAOBMAOALCKCCNB2CDK1
Tert-Butyl Formate SCHEMBL27785453 0.78 MAOB (0.52) MAOBMAOALCKCCNB2CDK1
SCHEMBL5545087 0.76 MAOB (0.71) MAOBMAOALCKCCNB2CDK1
SCHEMBL29454637 0.76 MAOB (1.00) MAOBMAOALCKCCNB2CDK1
SCHEMBL2265668 0.76 MAOB (0.71) MAOBMAOALCKCCNB2CDK1
SCHEMBL314161 0.76 MAOB (1.00) MAOBMAOALCKCCNB2CDK1
SCHEMBL27786357 0.76 MAOB (0.71) MAOBMAOALCKCCNB2CDK1

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 MAOB 4623/4885MAOA 4666/4885LCK 1601/4885

“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.