SCHEMBL19680573

SCHEMBL19680573

CC(C)=CCC[C@@H](C)CCOC(C)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.51
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 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
SCHEMBL17861079 1.00 ALOX15 (0.51) ALOX15NFE2L2ALDH1A1ATMTDP1
SCHEMBL13754159 0.90 ALOX15 (0.51) ALOX15NFE2L2ALDH1A1ATMTDP1
SCHEMBL19680575 0.88 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1TDP1L3MBTL1
SCHEMBL17861086 0.88 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1TDP1L3MBTL1
SCHEMBL21300672 0.88 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1TDP1L3MBTL1
SCHEMBL17861076 0.83 KMT2A (0.38) ALDH1A1ATMTDP1KDM4EPGR
SCHEMBL5605056 0.81 ALOX15 (0.61) ALOX15NFE2L2ALDH1A1TDP1MAPK1
SCHEMBL5605059 0.81 ALOX15 (0.61) ALOX15NFE2L2ALDH1A1TDP1MAPK1
SCHEMBL585939 0.81 ALOX15 (0.61) ALOX15NFE2L2ALDH1A1TDP1MAPK1
SCHEMBL19680578 0.80 ALOX15 (0.47) ALOX15NFE2L2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233781-B1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO KGAA (DE) 2019-08-28 EP disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 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-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 ALOX15 417/4885NFE2L2 1399/4885ALDH1A1 21/4885

“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.