SCHEMBL13126554

SCHEMBL13126554

CC(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(C(C)C)cc3)[n+]2CC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
APOBEC3A P31941 1/20 0.33
GFER P55789 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL10069274 0.83 NFE2L2 (0.51) NFE2L2PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL13126549 0.83 NPC1 (0.36) NFE2L2SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10069899 0.82 ALDH1A3 (0.41) NFE2L2KDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL14139762 0.81 AHR (0.45) NFE2L2PTGS1AHR
SCHEMBL10068869 0.81 NFE2L2 (0.43) NFE2L2PTGS1PTGS2KDM4EMAPK1
SCHEMBL13126558 0.81 CYP1A2 (0.39) NFE2L2PTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL10069303 0.80 NFE2L2 (0.42) NFE2L2PTGS1PTGS2KDM4EMAPK1
SCHEMBL10069910 0.79 MEN1 (0.51) MAPK1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL13127036 0.79 TRPA1 (0.49) NFE2L2PTGS2KDM4ESMN1; SMN2RAB9A
SCHEMBL10069204 0.79 CYP1A1 (0.42) NFE2L2KDM4ESMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP NFE2L2 3995/4885PTGS1 2442/4885PTGS2 2333/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 NFE2L2 4495/4885PTGS1 2903/4885PTGS2 2814/4885

“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.