SCHEMBL4087328

SCHEMBL4087328

COC(=O)c1cccc(CCCN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
PTGER2 P43116 2/20 0.44
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
KCNN4 O15554 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CACNA1B Q00975 1/20 0.37
PARP1 P09874 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL4087365 0.94 PTGER4 (0.49) PTGER4PTGER2KCNN4KMT2AMEN1
SCHEMBL5575957 0.91 PTGER4 (0.51) PTGER4PTGER2MRGPRX4KMT2AMEN1
SCHEMBL4087358 0.89 PTGER4 (0.55) PTGER4PTGER2KCNN4KMT2AMEN1
SCHEMBL4087532 0.87 MAOB (0.44) PTGER4PTGER2KCNN4MRGPRX4KMT2A
SCHEMBL4086039 0.87 PTGER4 (0.42) PTGER4PTGER2KCNN4KMT2AMEN1
SCHEMBL4082462 0.86 PTGER4 (0.62) PTGER4PTGER2CYP4F2CYP4A11MRGPRX4
SCHEMBL4085409 0.85 PTGER4 (0.43) PTGER4PTGER2KCNN4MRGPRX4KMT2A
SCHEMBL15163165 0.81 PTGER4 (0.44) PTGER4PTGER2CYP4F2CYP4A11KCNN4
SCHEMBL27717957 0.81 KMT2A (0.47) PTGER4PTGER2KMT2AMEN1KDM4E
SCHEMBL4077453 0.81 KMT2A (0.42) PTGER4PTGER2KCNN4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER4 33/4885PTGER2 39/4885CYP4F2 781/4885

“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.