SCHEMBL16624160

SCHEMBL16624160

CCOC(=O)CC(c1ccccc1)C(C)C(=O)c1ccc(OCC[N+]2(C)CCC(C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 5/20 0.36
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
NLRP1 Q9C000 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA7 P36544 3/20 0.35

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
SCHEMBL16624163 0.93 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMAPTMITFRAB9A
SCHEMBL16624161 0.90 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16624159 0.85 TRPV1 (0.40)
SCHEMBL16624912 0.75 NPSR1 (0.48) SMN1; SMN2LMNAMAPTMITFRAB9A
SCHEMBL16624893 0.74 MEN1 (0.48) SMN1; SMN2LMNAALDH1A1TSHRMEN1
SCHEMBL16624901 0.73 F2 (0.46) LMNARAB9AALDH1A1TSHRMEN1
SCHEMBL16624157 0.71 HRH3 (0.32) SMN1; SMN2ALDH1A1HPGDCHRM3CHRM2
SCHEMBL16624154 0.71 HRH3 (0.32) SMN1; SMN2ALDH1A1CHRM3CHRM2
SCHEMBL16624153 0.70 HRH3 (0.32) SMN1; SMN2ALDH1A1HPGDCHRM3CHRM2
SCHEMBL16624910 0.69 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTMITFRAB9A

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 7 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-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-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
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 SMN1; SMN2 2945/4885LMNA 1414/4885MAPT 1946/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 SMN1; SMN2 2945/4885LMNA 1414/4885MAPT 1946/4885

“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.