SCHEMBL4405863

SCHEMBL4405863

CC(C)=CCCC(C)CCOC(C)OCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL7940744 0.89 ALOX15 (0.45) ALOX15KDM4EHPGDSMN1; SMN2PTPN1
SCHEMBL13754145 0.84 ALOX15 (0.45) ALOX15KDM4EHPGDSMN1; SMN2HDAC1
SCHEMBL4399313 0.83 ALOX15 (0.46) ALOX15HDAC1NFE2L2ALDH1A1MAPT
SCHEMBL21596570 0.78 ALOX15 (0.39) ALOX15KDM4EHPGDSMN1; SMN2HDAC1
SCHEMBL23925273 0.77 ALOX15 (0.41) ALOX15KDM4EHPGDSMN1; SMN2NFE2L2
SCHEMBL21596602 0.77 ALOX15 (0.41) ALOX15KDM4EHPGDSMN1; SMN2NFE2L2
SCHEMBL22443740 0.77 ALOX15 (0.41) ALOX15KDM4EHPGDSMN1; SMN2NFE2L2
SCHEMBL4406264 0.77 THRA (0.48) KDM4EHPGDSMN1; SMN2PTPN1HDAC1
SCHEMBL17861077 0.74 ALOX15 (0.51) ALOX15KDM4ESMN1; SMN2NFE2L2ALDH1A1
SCHEMBL19680576 0.74 ALOX15 (0.51) ALOX15KDM4ESMN1; SMN2NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146033-B1 Fragrance precursors GIVAUDAN SA (CH) 2009-12-23 EP disclosed
EP-1146033-B1 Fragrance precursors GIVAUDAN SA (CH) 2009-12-23 EP disclosed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 US disclosed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 US disclosed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 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-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 ALOX15 639/4885KDM4E 1477/4885HPGD 1844/4885

“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.