SCHEMBL10825014

SCHEMBL10825014

C=CCCCCCCC/C=C/C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 3/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 2/20 0.36
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1633379 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941506 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL7356395 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941587 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL1301761 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL1301764 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941590 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941518 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941605 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA
SCHEMBL18941604 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTABCC4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386319-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES Bedoukian Research, Inc. (US) 2018-10-17 EP claimed
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles BEDOUKIAN RESEARCH, INC. (US) 2018-07-31 US claimed
WO-2017100426-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 WO claimed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US claimed
JP-61194044-A None JP disclosed
EP-3386319-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES Bedoukian Research, Inc. (US) 2018-10-17 EP disclosed
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles BEDOUKIAN RESEARCH, INC. (US) 2018-07-31 US disclosed
WO-2017100426-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 WO disclosed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US disclosed
JP-S61194044-A 2-ENAL COMPOUND HAVING TERMINAL DOUBLE BOND AND PERFUMERY COMPOSITION CONTAINING SAME KAO CORP 1986-08-28 JP 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 (2 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-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES ALDH3A1, OR51E2, DHCR24 ALDH1A1 5/4885TSHR 3880/4885MAPT 2279/4885
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles ALDH3A1, OR51E2, DHCR24 ALDH1A1 5/4885TSHR 3880/4885MAPT 2279/4885

“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.