SCHEMBL16624153

SCHEMBL16624153

CC1CC[N+](C)(CCOc2ccc(C(=O)C(C)C(C)CC(=O)C3C(C)C=CCC3(C)C)cc2)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM3 P20309 3/20 0.31
GBA1 P04062 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
SCHEMBL17129706 0.86 MAPT (0.36) HRH3ALDH1A1HPGDGBA1
SCHEMBL16863840 0.80
SCHEMBL16624157 0.80 HRH3 (0.32) HRH3ALDH1A1SMN1; SMN2CTDSP1HPGD
SCHEMBL14227669 0.80 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL16624152 0.79 HRH3 (0.33) HRH3ALDH1A1SMN1; SMN2CTDSP1
SCHEMBL17676152 0.77
SCHEMBL17675721 0.77 RAB9A (0.37) ALDH1A1SMN1; SMN2HPGD
SCHEMBL16626452 0.77 CHRM2 (0.33) HRH3ALDH1A1CHRM2
SCHEMBL14227660 0.76 HSP90AA1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL16624154 0.75 HRH3 (0.32) HRH3ALDH1A1SMN1; SMN2CTDSP1CHRM2

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-9730875-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2017-08-15 US disclosed
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-05-26 US disclosed
US-9284261-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-03-15 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 (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-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 HRH3 588/4885ALDH1A1 234/4885SMN1; SMN2 2945/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 HRH3 588/4885ALDH1A1 234/4885SMN1; SMN2 2945/4885

“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.