SCHEMBL3868306

SCHEMBL3868306

CCC1(CCCS(=O)(=O)c2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.46
HTR7 P34969 5/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL777886 0.73 PSIP1 (0.64) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL10629823 0.72 PSIP1 (0.61) PSIP1KMT2AMEN1KEAP1NFE2L2
SCHEMBL576918 0.72 KEAP1 (0.63) PSIP1HTR7KMT2AMEN1KEAP1
Benzene SCHEMBL6390523 0.71 PSIP1 (0.61) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL2445501 0.71 PSIP1 (0.61) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL10626503 0.70 HDAC1 (0.65) PSIP1HTR7KMT2AMEN1KEAP1
SCHEMBL10616984 0.70 PSIP1 (0.59) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL5963682 0.70 PSIP1 (0.59) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL6673936 0.70 PSIP1 (0.59) PSIP1KEAP1NFE2L2HDAC1HDAC8
SCHEMBL16087603 0.70 PSIP1 (0.59) PSIP1KEAP1NFE2L2HDAC1HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563924-B2 9-chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2009-07-21 US disclosed
EP-1816121-B1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-12 EP disclosed
US-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-08-30 US disclosed
EP-1816121-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP disclosed
WO-2007057232-A1 9-CHLORO-15-DEOXYPROSTAGLANDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-24 WO 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-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments PGF, PTGIS, CYP11B2 PSIP1 2407/4885HTR7 341/4885KMT2A 4454/4885

“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.