SCHEMBL13126945

SCHEMBL13126945

CC[n+]1c(/C=C/c2ccc(C)cc2)cccc1/C=C/c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ APOBEC3A P31941 2/20 0.44
▸ APOBEC3G Q9HC16 2/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ STAT3 P40763 1/20 0.42

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
SCHEMBL10069299 0.81 NFE2L2 (0.41) NFE2L2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10068869 0.81 NFE2L2 (0.43) NFE2L2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10069734 0.81 TRPA1 (0.55) NFE2L2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL710605 0.81 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10069741 0.81 CYP1A1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10068870 0.81 CYP1A2 (0.42) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL710606 0.81 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10069215 0.80 MEN1 (0.42) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
Iodide SCHEMBL8072629 0.80 MEN1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10069274 0.80 NFE2L2 (0.51) NFE2L2MEN1KMT2ARAB9ASMN1; SMN2

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 3 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-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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP NFE2L2 3995/4885MEN1 353/4885KMT2A 1264/4885

“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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