SCHEMBL16624161

SCHEMBL16624161

CC1CC[N+](C)(CCOc2ccc(C(=O)C(C)C(CC(=O)OC/C=C/c3ccccc3)c3ccccc3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA7 P36544 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNA10 Q9GZZ6 4/20 0.39
CHRNA9 Q9UGM1 4/20 0.39
HRH3 Q9Y5N1 1/20 0.36
BCHE P06276 14/20 0.34
ACHE P22303 12/20 0.34

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
SCHEMBL16624160 0.90 SMN1; SMN2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16624163 0.86 SMN1; SMN2 (0.42)
SCHEMBL16624159 0.85 TRPV1 (0.40)
SCHEMBL16624924 0.78 ALDH1A1 (0.45) BCHE
SCHEMBL16624919 0.78 ALDH1A1 (0.41)
SCHEMBL16624928 0.76 CYP1B1 (0.41)
SCHEMBL19071506 0.66 ALDH1A1 (0.39)
SCHEMBL16624153 0.66 HRH3 (0.32) HRH3
SCHEMBL16624157 0.66 HRH3 (0.32) HRH3
SCHEMBL16624154 0.66 HRH3 (0.32) HRH3ACHE

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 CHRNB2 1543/4885CHRNB4 1255/4885CHRNA3 2623/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 CHRNB2 1543/4885CHRNB4 1255/4885CHRNA3 2623/4885

“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.