SCHEMBL435076

SCHEMBL435076

Fc1ccc([C]2CCC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
TDP2 O95551 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL436723 0.95 MAOA (0.41) ALDH1A1MAOAMAOBTDP2IDO1
SCHEMBL435253 0.93 MAOA (0.42) ALDH1A1MAOAMAOBTDP2IDO1
SCHEMBL434353 0.91 ALDH1A1 (0.42) ALDH1A1MAOAMAOBTDP2IDO1
SCHEMBL28289816 0.82 CA9 (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL434517 0.78 KMO (0.38) KMT2AHPGDCYP11B1CYP11B2KMO
SCHEMBL9135463 0.77 ALDH1A1 (0.52) ALDH1A1IDO1AGXTKDM4EKMT2A
SCHEMBL8640755 0.75 PARP1 (0.40) ALDH1A1TDP2
SCHEMBL433557 0.74 KMT2A (0.41) KMT2ACYP19A1CYP11B1CYP11B2KMO
SCHEMBL17514969 0.74 NISCH (0.46) KDM4ESMN1; SMN2KMT2AMEN1HPGD
SCHEMBL19994059 0.72 NISCH (0.45) ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
EP-2099300-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-09-16 EP disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN ALDH1A1 2969/4885MAOA 4705/4885MAOB 4630/4885

“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.