SCHEMBL6797872

SCHEMBL6797872

CCC(C)(C=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6795224 0.83 TSHR (0.40) NPC1RAB9ALMNAL3MBTL1KDM4E
SCHEMBL6212379 0.81 PPARA (0.49) SMN1; SMN2LMNAMAPK1ATMCYP2C9
SCHEMBL8887829 0.80 KMT2A (0.42) NPC1RAB9APOLBCYP2C9KDM4E
SCHEMBL10292616 0.76 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL14214464 0.76 TLR4 (0.46) MAPK1KMT2ALTA4H
SCHEMBL9541482 0.75 PPARG (0.39) ATMPPARGL3MBTL1NPSR1PPARA
SCHEMBL9550318 0.75 CA4 (0.39) NPC1RAB9ALMNAMAPK1ATM
SCHEMBL6210928 0.75 CA4 (0.39) NPC1RAB9ALMNAMAPK1ATM
SCHEMBL11160066 0.74 MAPK1 (0.40) SMN1; SMN2MAPK1PPARGL3MBTL1KDM4E
SCHEMBL10838389 0.74 ALDH1A1 (0.39) NPC1RAB9AKDM4EALDH1A1MAPT

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 NPC1 435/4885RAB9A 2503/4885SMN1; SMN2 1298/4885

“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.