SCHEMBL6409577

SCHEMBL6409577

O=P(O)(O)Oc1c[nH]c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
TDO2 P48775 8/20 0.46
HTR2A P28223 1/20 0.42
INPPL1 O15357 3/20 0.41
INPP5B P32019 2/20 0.41
INPP5A Q14642 2/20 0.41
IDO1 P14902 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL6409572 0.87 GPR84 (0.49) GPR84TDO2HTR2AIDO1
SCHEMBL3135451 0.84 GPR84 (0.46) GPR84TDO2HTR2AIDO1
SCHEMBL27828855 0.81 CYP2A6 (0.47) INPPL1INPP5BINPP5AIDO1
SCHEMBL305772 0.81 NR4A2 (0.49) GPR84INPPL1INPP5BINPP5AIDO1
SCHEMBL8915707 0.78 HTR1B (0.42) INPPL1INPP5BINPP5A
SCHEMBL540158 0.77 SLC22A6 (0.56) GPR84HTR2AINPPL1INPP5BINPP5A
SCHEMBL31034497 0.77 SLC22A6 (0.56) GPR84HTR2AINPPL1INPP5BINPP5A
Phosphoric Acid SCHEMBL1231445 0.76 GPR84 (0.54) GPR84TDO2HTR2AIDO1
SCHEMBL9119246 0.75 SLC22A6 (0.62) GPR84TDO2HTR2AIDO1TUBB4A
SCHEMBL14527873 0.75 GPR84 (0.53) GPR84TDO2HTR2AIDO1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186906-B1 Medium for detecting and differentiating vancomycin-resistant enterococci OXOID LTD (GB) 2012-07-25 EP claimed
CN-102177248-A Reaction medium for methicillin-resistant staphylococcus aureus (MRSA) bacteria BIOMERIEUX SA 2011-09-07 CN disclosed
CN-101970682-A Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2011-02-09 CN disclosed
US-6902586-B2 Phosphate dye precursors and use thereof for dyeing keratin fibers L'OREAL (FR) 2005-06-07 US disclosed
US-20030037387-A1 Phosphate dye precursors and use thereof for dyeing keratin fibres L'OREAL (FR) 2003-02-27 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-20030037387-A1 Phosphate dye precursors and use thereof for dyeing keratin fibres KRT18, ALPG, ALPP GPR84 3813/4885TDO2 167/4885HTR2A 4511/4885

“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.