SCHEMBL29955032

SCHEMBL29955032

CC(C)Oc1cc(F)cc(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.36
FFAR4 Q5NUL3 4/20 0.35
ENPP2 Q13822 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HPGD P15428 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PTGDR Q13258 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7703491 1.00 KAT6A (0.36) KAT6AFFAR4ENPP2ALDH1A1GRIN2D
SCHEMBL15936308 0.91 KAT6A (0.32) KAT6AFFAR4ENPP2
SCHEMBL18302621 0.83 ENPP2 (0.32) ENPP2
SCHEMBL11916157 0.80 KAT6A (0.39) KAT6AFFAR4ALDH1A1GRIN2DGRIN3B
SCHEMBL29955737 0.79 ENPP2 (0.36) KAT6AFFAR4ENPP2ALDH1A1GRIN2D
SCHEMBL447912 0.79 ENPP2 (0.52) ENPP2ALDH1A1CA1CA2
SCHEMBL31243807 0.79 ENPP2 (0.52) ENPP2ALDH1A1CA1CA2
SCHEMBL17593048 0.78 FFAR4 (0.35) FFAR4ENPP2ALDH1A1GRIN2DGRIN3B
SCHEMBL16687416 0.78 ENPP2 (0.35) ENPP2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL29954385 0.77 MGLL (0.43) FFAR4ENPP2ALDH1A1GRIN2DGRIN3B

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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 KAT6A 4499/4885FFAR4 139/4885ENPP2 148/4885

“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.