SCHEMBL6793224

SCHEMBL6793224

CCC(C)(C=O)Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.45
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
IDO1 P14902 2/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CMA1 P23946 1/20 0.40
AGXT P21549 1/20 0.39
LTA4H P09960 1/20 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
SCHEMBL6795617 0.80 TSHR (0.49) TP53TSHREPHX2NR1H4CA1
SCHEMBL11404883 0.80 ALDH1A1 (0.46) CTSKALDH1A1ALOX15SMN1; SMN2TP53
SCHEMBL24733310 0.80 ALDH1A1 (0.46) CTSKALDH1A1ALOX15SMN1; SMN2TP53
SCHEMBL6792841 0.78 SLC6A2 (0.47) CTSKALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL6796106 0.76 TYR (0.41) CTSKALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL12841723 0.76 IDO1 (0.48) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL28013250 0.76 MTNR1A (0.40) ALDH1A1ALOX15SMN1; SMN2TP53CYP2A6
SCHEMBL11088800 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL4435214 0.75 AOC3 (0.41) CTSKALDH1A1ALOX15SMN1; SMN2TP53
SCHEMBL12313869 0.74 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4

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
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom THE PROCTER & GAMBLE COMPANY 2004-04-08 US disclosed
EP-1171556-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP disclosed
WO-2000063329-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 WO 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-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom CUTA, TRPA1, HRH1 CTSK 3051/4885ALDH1A1 51/4885ALOX15 1397/4885

“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.