SCHEMBL2959650

SCHEMBL2959650

O=C1CCc2cc(C(=O)c3ccc(OC4CCCCO4)cc3O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JUN P05412 1/20 0.34
UGT1A1 P22309 1/20 0.34
UGT1A3 P35503 1/20 0.34
UGT1A8 Q9HAW9 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTPN1 P18031 2/20 0.33
NR1H4 Q96RI1 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL2961235 0.87 JUN (0.43) JUNUGT1A1UGT1A3UGT1A8ALDH1A1
SCHEMBL2957000 0.78 MEN1 (0.47) MEN1KMT2ANR1H4ALDH1A1HPGD
SCHEMBL30113210 0.74 MEN1 (0.46) MEN1KMT2AHSD11B1PTPN1ALDH1A1
SCHEMBL18796518 0.74 MEN1 (0.46) MEN1KMT2AHSD11B1PTPN1ALDH1A1
SCHEMBL30065877 0.73 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1MAOAMAOB
SCHEMBL2968461 0.73 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1MAOAMAOB
SCHEMBL6920331 0.72 JUN (0.40) MEN1KMT2AJUNUGT1A1UGT1A3
SCHEMBL18796365 0.72 CA12 (0.49) MEN1KMT2AHSD11B1PTPN1ALDH1A1
SCHEMBL30113113 0.72 CA12 (0.49) MEN1KMT2AHSD11B1PTPN1ALDH1A1
SCHEMBL2965162 0.70 PTGS2 (0.42) MEN1KMT2AALDH1A1HPGDHTT

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 MEN1 3908/4885KMT2A 1394/4885JUN 3/4885

“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.