SCHEMBL16624893

SCHEMBL16624893

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
F10 P00742 1/20 0.46
F2 P00734 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNA5 P22460 1/20 0.43
MMP8 P22894 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16624901 0.93 F2 (0.46) MEN1NPC1KMT2APGRADRA2A
SCHEMBL16624912 0.90 NPSR1 (0.48) MEN1NPC1KMT2AALDH1A1F2
SCHEMBL5972748 0.88 TSHR (0.55) MEN1NPC1KMT2AALDH1A1TSHR
SCHEMBL16624914 0.85 SMN1; SMN2 (0.47) NPC1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL16624926 0.85 KCNA5 (0.58) KMT2AALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL16624896 0.85 SLC22A1 (0.42) NPC1PGRADRA2AADRA2BHTR2A
SCHEMBL5231181 0.84 TSHR (0.50) MEN1NPC1KMT2AALDH1A1TSHR
SCHEMBL16624919 0.83 ALDH1A1 (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11740036 0.82 LMNA (0.53) MEN1NPC1KMT2APGRADRA2A
SCHEMBL11732434 0.81 KMT2A (0.53) MEN1NPC1KMT2APGRADRA2A

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 MEN1 556/4885NPC1 4348/4885KMT2A 2118/4885

“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.