SCHEMBL7285366

SCHEMBL7285366

CCCCC=CCCC=CC=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
ALDH1A1 P00352 1/20 0.64
FAAH O00519 4/20 0.50
TRPV1 Q8NER1 2/20 0.50
TRPA1 O75762 1/20 0.48
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
TOP1 P11387 3/20 0.42
FASN P49327 1/20 0.41
TERT O14746 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39

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
SCHEMBL18941575 1.00 TSHR (0.64) TSHRALDH1A1FAAHTRPV1TRPA1
SCHEMBL7357063 0.95 TSHR (0.64) TSHRALDH1A1FAAHTRPV1TRPA1
SCHEMBL18941583 0.95 TSHR (0.64) TSHRALDH1A1FAAHTRPV1TRPA1
SCHEMBL18941620 0.95 TSHR (0.71) TSHRALDH1A1FAAHTRPV1TRPA1
SCHEMBL18941622 0.95 TSHR (0.71) TSHRALDH1A1FAAHTRPV1TRPA1
SCHEMBL120185 0.95
SCHEMBL14369435 0.95
SCHEMBL311055 0.95
SCHEMBL567144 0.93 TSHR (0.75) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL6432741 0.93 TSHR (0.68) TSHRALDH1A1FAAHTRPV1F7

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 19 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
CN-1271021-C Process for synthesizing sex pheromone of pine caterpillar UNIV YUNNAN (CN) 2006-08-23 CN claimed
CN-1557796-A Process for synthesizing sex pheromone of pine caterpillar 云南大学 2004-12-29 CN claimed
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
CN-1271021-C Process for synthesizing sex pheromone of pine caterpillar UNIV YUNNAN (CN) 2006-08-23 CN disclosed
CN-1557796-A Process for synthesizing sex pheromone of pine caterpillar 云南大学 2004-12-29 CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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 (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 TSHR 3880/4885ALDH1A1 5/4885FAAH 9/4885
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles ALDH3A1, OR51E2, DHCR24 TSHR 3880/4885ALDH1A1 5/4885FAAH 9/4885

“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.