SCHEMBL25850589

SCHEMBL25850589

c1cc(-c2cccc(-c3ccc4ccc5cccnc5c4n3)c2)cc(-c2ccc3c(ccc4ccccc43)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR8 P51685 5/20 0.43
CYP3A4 P08684 3/20 0.43
CCR5 P51681 3/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL17691940 0.93 CCR1 (0.44) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL17691941 0.93 CCR1 (0.44) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL17899298 0.91 CYP11B1 (0.49) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL18904496 0.90 CCR1 (0.44) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL30868629 0.90 CCR1 (0.44) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL16303787 0.90 CCR1 (0.44) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL17691862 0.90 CCR1 (0.53) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL17899297 0.90 CYP11B1 (0.50) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL18904471 0.89 CCR1 (0.43) CCR1CCR8CYP3A4CCR5LMNA
SCHEMBL18904454 0.88 CCR1 (0.42) CCR1CCR8CYP3A4CCR5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 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-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof PPOX, ESR1, CCNE2 CCR1 3555/4885CCR8 3502/4885CYP3A4 1099/4885

“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.