SCHEMBL4448487

SCHEMBL4448487

C=CCCCCCCCCCOC(OCCCCCCCCCC=C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LSS P48449 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
FAAH O00519 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
PPARA Q07869 1/20 0.36
AKT1 P31749 1/20 0.36
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 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
SCHEMBL13754146 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1HTTMAPT
SCHEMBL13754173 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1LSSTDP1FAAH
SCHEMBL4447711 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTMAPTLMNA
SCHEMBL13754158 0.81 TP53 (0.55) ALDH1A1L3MBTL1PPARA
SCHEMBL13754154 0.81 TP53 (0.55) ALDH1A1L3MBTL1PPARA
SCHEMBL7589520 0.80 TSHR (0.51) ALDH1A1LMNA
SCHEMBL9577653 0.79 TSHR (0.54) ALDH1A1LMNA
SCHEMBL1374304 0.78 CYP3A4 (0.44) ALDH1A1L3MBTL1TDP1HTTMAPT
SCHEMBL4806447 0.77 TDP1 (0.71) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL31746274 0.77 TDP1 (0.71) ALDH1A1L3MBTL1TDP1MAPTLMNA

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 4439/4885LSS 1596/4885

“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.