SCHEMBL3915869

SCHEMBL3915869

CCCCC(=CC=O)CCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.40
CES2 O00748 6/20 0.40
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
CA1 P00915 1/20 0.36
TSHR P16473 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1B1 P15121 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL3915868 1.00 CES1 (0.40) CES1CES2TRPA1ALDH1A1TP53
SCHEMBL20942862 0.95 CES1 (0.43) CES1CES2TRPA1ALDH1A1TP53
SCHEMBL20942916 0.90 CES2 (0.38) CES1CES2TRPA1ALDH1A1MAPT
SCHEMBL1701354 0.88 CES2 (0.46) CES1CES2TRPA1ALDH1A1TSHR
SCHEMBL1701125 0.88 CES2 (0.46) CES1CES2TRPA1ALDH1A1TSHR
SCHEMBL6627036 0.88 TRPA1 (0.48) CES1CES2TRPA1ALDH1A1MAPT
SCHEMBL16012618 0.86 CES2 (0.48) CES1CES2TRPA1ALDH1A1TSHR
SCHEMBL16012600 0.86 CES2 (0.48) CES1CES2TRPA1ALDH1A1TSHR
SCHEMBL31647623 0.86 CES2 (0.48) CES1CES2TRPA1ALDH1A1TSHR
SCHEMBL4136048 0.86 CES1 (0.40) CES1CES2TRPA1ALDH1A1TP53

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032516-B1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2012-09-26 EP claimed
US-20090202464-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2009-08-13 US claimed
EP-2032516-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2009-03-11 EP claimed
WO-2007143873-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-12-21 WO claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
US-5831135-A CATALYST SELECTIVITY; PURITY HUELS AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-5675045-A Process for the catalytic selective hydrogenation of polyunsaturated organic substances HUELS AKTIENGESELLSCHAFT (DE) 1997-10-07 US claimed
EP-0753496-A2 Process for the catalytic selective hydrogenation of multiple unsaturated organic substances HÜLS AKTIENGESELLSCHAFT (DE) 1997-01-15 EP claimed
US-10946304-B2 Process for recovering aldehyde obtained by hydroformulation in two columns with increasing pressure JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2021-03-16 US disclosed
US-20200298138-A1 PROCESS FOR RECOVERING ALDEHYDE OBTAINED BY HYDROFORMULATION IN TWO COLUMNS WITH INCREASING PRESSURE JOHNSON MATTHEY DAVY TECHNOLOGIES LIMITED (GB) 2020-09-24 US disclosed
EP-3544950-A1 PRECURSOR COMPOUNDS FOR FRAGRANT ALDEHYDES Givaudan S.A. (CH) 2019-10-02 EP disclosed
US-20190276387-A1 PRECURSOR COMPOUNDS FOR FRAGRANT ALDEHYDES GIVAUDAN SA (CH) 2019-09-12 US disclosed
WO-2018096176-A1 PRECURSOR COMPOUNDS FOR FRAGRANT ALDEHYDES GIVAUDAN SA (CH) 2018-05-31 WO disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
US-5831135-A CATALYST SELECTIVITY; PURITY HUELS AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
US-5675045-A Process for the catalytic selective hydrogenation of polyunsaturated organic substances HUELS AKTIENGESELLSCHAFT (DE) 1997-10-07 US disclosed
EP-0753496-A2 Process for the catalytic selective hydrogenation of multiple unsaturated organic substances HÜLS AKTIENGESELLSCHAFT (DE) 1997-01-15 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 (3 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-20090202464-A1 Fragrance Compounds OR10J3, OR51E2, TAS2R5 CES1 2861/4885CES2 1364/4885TRPA1 99/4885
US-20190276387-A1 PRECURSOR COMPOUNDS FOR FRAGRANT ALDEHYDES HAAO, B3GNT2, NAA40 CES1 708/4885CES2 597/4885TRPA1 1001/4885
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 CES1 1265/4885CES2 96/4885TRPA1 1/4885

“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.