SCHEMBL3312341

SCHEMBL3312341

COc1ccc(CCC=O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
APLNR P35414 1/20 0.42
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ERN1 O75460 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL13678722 0.84 APLNR (0.39) KMT2AMEN1ALDH1A1HPGDAPOBEC3A
SCHEMBL584252 0.83 APLNR (0.59) KMT2AMEN1ALDH1A1APLNRADRA1A
SCHEMBL2559819 0.82 HTT (0.45) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL910548 0.81 POLB (0.62) ALDH1A1HPGDPOLBERN1TRIM24
SCHEMBL28034772 0.81 MEN1 (0.42) KMT2AMEN1ALDH1A1APLNRPOLB
SCHEMBL26551206 0.80 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL7332987 0.79 ADRA1A (0.62) ALDH1A1ADRA1ATAAR1IDO1
SCHEMBL13678723 0.79 POLB (0.35) KMT2AMEN1POLBTRIM24TYR
SCHEMBL31664401 0.79 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL585890 0.78 KDM4E (0.40) KMT2AMEN1ALDH1A1HTTTAAR1

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-20100113616-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2010-05-06 US disclosed
US-20080226708-A1 Silicone Vesicles Containing Actives DOW CORNING CORPORATION 2008-09-18 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-20080226708-A1 Silicone Vesicles Containing Actives EXOSC5, EXOSC9, EXOSC10 KMT2A 2234/4885MEN1 574/4885ALDH1A1 4797/4885
US-20100113616-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS CACNA1I, CACNA1G, CACNA1F KMT2A 1472/4885MEN1 753/4885ALDH1A1 786/4885

“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.