SCHEMBL16626452

SCHEMBL16626452

Cc1ccc(C(=O)C(C)C(C)CC(=O)C2C(C)C=CCC2(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HCRTR1 O43613 1/20 0.33
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16863840 0.95
SCHEMBL17675722 0.91 MAPK1 (0.31)
SCHEMBL14227660 0.90 HSP90AA1 (0.34) ADRA2BLMNAALDH1A1KMT2A
SCHEMBL17675721 0.89 RAB9A (0.37) SLC6A3SLC6A2SLC6A4LMNAALDH1A1
SCHEMBL14359958 0.88 ALDH1A1 (0.38) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL14227669 0.88 ALDH1A1 (0.35) DRD3SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL17676152 0.87
SCHEMBL14359956 0.81 RXRA (0.32)
SCHEMBL18255337 0.79 LMNA (0.32) LMNAALDH1A1
SCHEMBL1887766 0.75

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-9926258-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-03-27 US disclosed
US-20160362356-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-15 US disclosed
US-20160347704-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-01 US disclosed
US-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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 (3 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-20160347704-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, FAAH, FAAH2 CHRM2 2097/4885ADRA2B 3176/4885DRD3 1526/4885
US-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 CHRM2 2332/4885ADRA2B 3603/4885DRD3 1823/4885
US-20160362356-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, FAAH, FAAH2 CHRM2 2910/4885ADRA2B 3650/4885DRD3 1603/4885

“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.