SCHEMBL23701728

SCHEMBL23701728

Fc1ccc2c(c1)COB2OCCCOB1OCc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
PDE3A Q14432 1/20 0.53
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL29999299 0.94 CA1 (0.56) CA1CA2PDE3APDE4APDE4B
SCHEMBL15499923 0.94 CA1 (0.56) CA1CA2PDE3APDE4APDE4B
SCHEMBL15930000 0.93 CA1 (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL14854031 0.91 CA1 (0.48) CA1CA2PDE3APDE4APDE4B
SCHEMBL15929892 0.91 CA1 (0.48) CA1CA2PDE3APDE4APDE4B
SCHEMBL14854030 0.90 CA1 (0.47) CA1CA2PDE3APDE4APDE4B
SCHEMBL15929940 0.89 CA1 (0.49) CA1CA2PDE3APDE4APDE4B
SCHEMBL10268377 0.88 CA1 (0.50) CA1CA2PDE3APDE4APDE4B
SCHEMBL16683577 0.88 CA1 (0.50) CA1CA2PDE3APDE4APDE4B
SCHEMBL15930002 0.88 CA1 (0.44) CA1CA2PDE3APDE4APDE4B

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-4100413-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS AgroFresh Inc. (US) 2022-12-14 EP disclosed
CN-115348965-A Antimicrobial compounds and compositions 阿格洛法士公司 2022-11-15 CN disclosed
WO-2021158595-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS AGROFRESH INC. (US) 2021-08-12 WO disclosed
US-20210238201-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS ALTER DOMUS US LLC 2021-08-05 US disclosed
US-20210238201-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS ALTER DOMUS US LLC 2021-08-05 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-20210238201-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS OXA1L, BROX, CAT CA1 4388/4885CA2 2915/4885PDE3A 2635/4885

“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.