SCHEMBL16586721

SCHEMBL16586721

CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O.NP(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.43
▸ DPYD Q12882 2/20 0.39
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYSLTR2 Q9NS75 1/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ APEX1 P27695 1/20 0.32

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
SCHEMBL16586691 1.00 GPR84 (0.43) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL16585678 0.92 GPR84 (0.46) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL31045506 0.91 DPYD (0.46) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL1050748 0.86 DPYD (0.47) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL1890981 0.80 DPYD (0.50) DPYDTSHRKDM4ELMNAMAPT
SCHEMBL3485393 0.77 DPYD (0.53) DPYDTSHRLMNAMAPTSMN1; SMN2
SCHEMBL1586447 0.74 DPYD (0.40) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL1586445 0.74 DPYD (0.40) GPR84DPYDCYP3A4CYP2C9CYP2C19
SCHEMBL31045516 0.74 DPYD (0.54) DPYDTSHRLMNAMAPTSMN1; SMN2
SCHEMBL22748451 0.67 FFAR1 (0.42) GPR84CYP3A4CYP2C9CYP2C19FFAR1

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
US-10285939-B2 Means and methods for ocular drug delivery EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2019-05-14 — — US disclosed
EP-3057572-B1 MEANS AND METHODS FOR OCULAR DRUG DELIVERY EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2018-01-31 — — EP disclosed
US-20160346203-A1 MEANS AND METHODS FOR OCULAR DRUG DELIVERY EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2016-12-01 — — US disclosed
EP-3057572-A1 MEANS AND METHODS FOR OCULAR DRUG DELIVERY Rijksuniversiteit Groningen (NL) 2016-08-24 — — EP disclosed
WO-2015041520-A1 MEANS AND METHODS FOR OCULAR DRUG DELIVERY RIJKSUNIVERSITEIT GRONINGEN (NL) 2015-03-26 — — WO 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 (2 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-10285939-B2 Means and methods for ocular drug delivery UACA, PDE6C, CRYAA GPR84 1696/4885DPYD 3498/4885CYP3A4 4698/4885
US-20160346203-A1 MEANS AND METHODS FOR OCULAR DRUG DELIVERY UACA, PDE6C, CRYAA GPR84 1696/4885DPYD 3498/4885CYP3A4 4698/4885

“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.

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