SCHEMBL16624157

SCHEMBL16624157

CC1=CCCC(C)(C)C1C(=O)CC(C)C(C)C(=O)c1ccc(OCC[N+]2(C)CCC(C)C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
HPGD P15428 1/20 0.30
CHRM2 P08172 3/20 0.30
CHRM3 P20309 3/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL17129767 0.85 MAPK1 (0.36) HRH3ALDH1A1GBA1
SCHEMBL16624152 0.85 HRH3 (0.33) HRH3ALDH1A1SMN1; SMN2CTDSP1
SCHEMBL16624153 0.80 HRH3 (0.32) HRH3ALDH1A1SMN1; SMN2CTDSP1HPGD
SCHEMBL14227670 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL16624154 0.78 HRH3 (0.32) HRH3ALDH1A1SMN1; SMN2CTDSP1CHRM2
SCHEMBL17676150 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17675718 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16624156 0.76 ESR1 (0.40) HRH3ALDH1A1SMN1; SMN2CHRM2CHRM3
SCHEMBL14227661 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL14227674 0.71 SLC6A4 (0.37) ALDH1A1

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.