SCHEMBL3946331

SCHEMBL3946331

CC=CCCC1=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 2/20 0.32
GSTP1 P09211 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7980410 0.83
SCHEMBL2433199 0.80 TAAR1 (0.37) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL2433200 0.80 TAAR1 (0.37) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL18754403 0.79
SCHEMBL8083435 0.79
SCHEMBL7766509 0.78 ALOX15 (0.34) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL8118694 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL8119420 0.76 SMN1; SMN2 (0.46) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL8119421 0.76 SMN1; SMN2 (0.46) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2
SCHEMBL8119119 0.76 SMN1; SMN2 (0.46) ALDH1A1ALOX15PKMTAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC ALDH1A1 788/4885ALOX15 448/4885PKM 310/4885

“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.