SCHEMBL4447711

SCHEMBL4447711

C=CCCCCCCCCCOC(OCCCCCCCCCC=C)C(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SLC2A1 P11166 1/20 0.39
MAPT P10636 2/20 0.39
F3 P13726 1/20 0.39
CA1 P00915 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
SCHEMBL13754158 0.86 TP53 (0.55) ALDH1A1L3MBTL1
SCHEMBL13754154 0.86 TP53 (0.55) ALDH1A1L3MBTL1
SCHEMBL4448487 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL22283522 0.81 NPC1 (0.51) ALDH1A1L3MBTL1PKMHTTCYP2D6
SCHEMBL13754146 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1PKMHTTMEN1
SCHEMBL8462631 0.77 L3MBTL1 (0.56) ALDH1A1L3MBTL1PKMHTTCYP2D6
SCHEMBL11338027 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL11360250 0.76 CES2 (0.53) ALDH1A1HTTMEN1CYP2D6KMT2A
SCHEMBL8461231 0.76 L3MBTL1 (0.57) ALDH1A1L3MBTL1PKMHTTCYP2D6
P-Anisic Acid SCHEMBL27890032 0.75 ALDH1A1 (0.60) ALDH1A1L3MBTL1CNR1CNR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 ALDH1A1 13/4885L3MBTL1 4439/4885PKM 87/4885

“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.