SCHEMBL16624896

SCHEMBL16624896

CC(C)CCOC(=O)CC(c1ccccc1)C(C)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAPK1 P28482 2/20 0.41
PPARG P37231 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KCNA5 P22460 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 2/20 0.39

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
SCHEMBL16624922 0.92 CYP3A4 (0.41) SLC22A1ALDH1A1SMN1; SMN2NPSR1CYP19A1
SCHEMBL16624903 0.90 MAPT (0.45) ALDH1A1LMNASMN1; SMN2NPSR1MAPK1
SCHEMBL16624893 0.85 MEN1 (0.48) ALDH1A1LMNASMN1; SMN2NPSR1KCNA5
SCHEMBL16624914 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2MAPK1CYP3A4
SCHEMBL19070983 0.82 MEN1 (0.40) SLC22A1ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL16624921 0.82 ALOX15 (0.49) ALDH1A1LMNASMN1; SMN2NPSR1CHRM2
SCHEMBL19071630 0.82 CYP3A4 (0.39) ALDH1A1LMNANPSR1CHRM2CHRM4
SCHEMBL16624926 0.81 KCNA5 (0.58) ALDH1A1LMNASMN1; SMN2NPSR1KCNA5
SCHEMBL19070886 0.81 NPSR1 (0.40) SLC22A1ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL16624895 0.78 L3MBTL1 (0.55) SLC22A1ALDH1A1LMNASMN1; SMN2NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864284-B1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2017-07-05 EP disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 US disclosed
US-20150099809-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 (1 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-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 SLC22A1 4793/4885ALDH1A1 236/4885LMNA 1058/4885

“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.