SCHEMBL4087532

SCHEMBL4087532

COC(=O)c1cccc(OCCN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
POLB P06746 2/20 0.43
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
NR4A2 P43354 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.40
KCNN4 O15554 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL4085409 0.93 PTGER4 (0.43) MAOBPTGER4PTGER2NR4A2KMT2A
SCHEMBL4087328 0.87 PTGER4 (0.44) PTGER4PTGER2KMT2AKDM4EMEN1
SCHEMBL4077399 0.86 PTGER4 (0.60) MAOBPOLBPTGER4PTGER2NR4A2
SCHEMBL4087358 0.85 PTGER4 (0.55) PTGER4PTGER2KMT2AKDM4EMEN1
SCHEMBL4087365 0.84 PTGER4 (0.49) PTGER4PTGER2KMT2AKDM4EMEN1
SCHEMBL4081988 0.82 PTGER4 (0.40) POLBPTGER4PTGER2KMT2AALDH1A1
SCHEMBL4087627 0.82 PTGER4 (0.40) MAOBPOLBPTGER4PTGER2NR4A2
SCHEMBL27717957 0.80 KMT2A (0.47) PTGER4PTGER2KMT2AALDH1A1KDM4E
SCHEMBL4077453 0.80 KMT2A (0.42) POLBPTGER4PTGER2KMT2AALDH1A1
SCHEMBL4086039 0.79 PTGER4 (0.42) PTGER4PTGER2KMT2AALDH1A1KDM4E

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
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP 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 MAOB 3520/4885POLB 3909/4885PTGER4 33/4885

“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.