SCHEMBL25822955

SCHEMBL25822955

Cc1csc2c(Br)nccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP17A1 P05093 2/20 0.31
CYP1A2 P05177 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL26970102 0.82 PDE3B (0.32) PDE3BPDE3A
SCHEMBL14980104 0.80 CYP2A6 (0.36) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL8284992 0.77 NOS2 (0.45) CCR1CCR5CCR8PDPK1
SCHEMBL22627501 0.77 CCR1 (0.33) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL30251105 0.77 CYP2A6 (0.39) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL7220040 0.77 CYP2A6 (0.39) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL24469343 0.74 GRM5 (0.36) CCR1CCR5CCR8PDPK1CYP17A1
SCHEMBL12946295 0.74 CCR1 (0.31) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL10479931 0.73 CYP2A6 (0.33) CCR1CCR5CCR8PDPK1CYP2A6
SCHEMBL4420462 0.71 CYP2A6 (0.41) PDPK1CYP2A6CYP1A2

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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 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-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 CCR1 4846/4885CCR5 4189/4885CCR8 4652/4885

“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.