SCHEMBL1819963

SCHEMBL1819963

CC(C)=CCCC(C)=CCCCC=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 4/20 0.57
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53

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
SCHEMBL8626074 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL18092234 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL8626072 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL9189400 0.90 KMT2A (0.68) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL9189396 0.90 KMT2A (0.68) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL24092723 0.87 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL18705403 0.87 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL9138262 0.87 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL9159020 0.87 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL9137864 0.87 KMT2A (0.77) KMT2AMAPTALDH1A1MEN1CYP3A4

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
US-10150722-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-12-11 US disclosed
EP-3072876-B1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2018-10-10 EP disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
EP-3072876-A1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS Closson, Adam P. (US) 2016-09-28 EP disclosed
US-8389466-B2 Use of carboxylic acid esters as a fragrance substance SYMRISE AG (DE) 2013-03-05 US disclosed
US-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE AG (DE) 2011-05-05 US 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 (4 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-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS ALDH1A1, TRPA1, ALDH2 KMT2A 1949/4885MAPT 1742/4885ALDH1A1 1/4885
US-10150722-B2 Aldehyde compounds and their use in perfume compositions ALDH1A1, ALDH2, ADH5 KMT2A 1421/4885MAPT 1342/4885ALDH1A1 1/4885
US-20110104092-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE FASN, ELOVL5, ALDH16A1 KMT2A 1635/4885MAPT 1790/4885ALDH1A1 9/4885
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS ALDH1A1, TRPA1, ALDH2 KMT2A 1949/4885MAPT 1742/4885ALDH1A1 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.