SCHEMBL23277705

SCHEMBL23277705

C=C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.33
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
TSPO P30536 1/20 0.31
HDAC4 P56524 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL18821134 0.90
SCHEMBL24677417 0.90 PTGER4 (0.32) PTGER4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL26051491 0.90 PTGER4 (0.35) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL23265814 0.89 KDM4E (0.35) PTGER4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24663013 0.87 PTGER4 (0.36) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL20887797 0.85 PTGER4 (0.32) PTGER4
SCHEMBL24813357 0.85 PTGER4 (0.35) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL22916382 0.85 PTGER4 (0.39) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL18821131 0.84
SCHEMBL20887796 0.83 PTGER4 (0.32) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991892-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-04-27 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-10991892-B2 Materials for organic electroluminescent devices MT-CO3, MT-ND3, MT-ND5 PTGER4 1508/4885AKR1C4 4110/4885AKR1C3 4037/4885

“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.