SCHEMBL4700975

SCHEMBL4700975

ON=C1CCCC2C3C=CC(C3)C12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
HSD11B1 P28845 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14284259 1.00 ALDH1A1 (0.32) ALDH1A1TDP1KDM4EHSD11B1USP2
SCHEMBL30879564 0.72 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHSD11B1USP2
SCHEMBL30288152 0.72 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHSD11B1USP2
SCHEMBL30288169 0.72 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHSD11B1USP2
SCHEMBL14284261 0.72 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EHSD11B1USP2
SCHEMBL11304467 0.72 ALDH1A1 (0.31) ALDH1A1TDP1TSHR
SCHEMBL4704147 0.70
SCHEMBL199996 0.63 ALDH1A1 (0.42) ALDH1A1HSD11B1
SCHEMBL200160 0.63 HSD11B1 (0.43) ALDH1A1HSD11B1
SCHEMBL3986309 0.63 ALDH1A1 (0.42) ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
EP-1516875-A1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1516874-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1493733-A2 Fungicidal heterocyclic aromatic amides, their compositions and methods of use Dow AgroSciences LLC (US) 2005-01-05 EP disclosed
EP-1486489-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2004-12-15 EP disclosed
US-20030022903-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 US disclosed
US-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2002-11-28 US disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234827-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 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-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 ALDH1A1 195/4885TDP1 1822/4885KDM4E 519/4885
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 ALDH1A1 195/4885TDP1 1822/4885KDM4E 519/4885
US-20030022903-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, NAT1, CYP1A1 ALDH1A1 230/4885TDP1 2270/4885KDM4E 462/4885
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP4X1, CYP1A1 ALDH1A1 199/4885TDP1 1838/4885KDM4E 515/4885

“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.