SCHEMBL6795874

SCHEMBL6795874

CCC(C)(C=O)C(C)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL8376908 0.75 TSHR (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL4557578 0.75 TSHR (0.44) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL5138295 0.73 TSHR (0.32) SMN1; SMN2TSHR
SCHEMBL6795917 0.73 RIPK1 (0.39) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL4557609 0.72 TSHR (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL586262 0.71 TSHR (0.51) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL5599000 0.70 ACE (0.46) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL5016666 0.70 TRPA1 (0.46) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL16414233 0.70 KMT2A (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL9285880 0.70 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1HTTHPGD

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 SMN1; SMN2 1298/4885KMT2A 2272/4885MEN1 2258/4885

“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.