SCHEMBL4198198

SCHEMBL4198198

[CH]=C1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.54
▸ SRD5A1 P18405 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.42
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RET P07949 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 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
SCHEMBL1875219 0.85 CYP2A6 (0.56) CES1MAOBCYP2A6MAOANOS3
SCHEMBL9073674 0.81 CES1 (0.56) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL29404495 0.80 CES1 (0.68) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL30297028 0.80 CES1 (0.68) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL155991 0.80 CES1 (0.68) CES1SRD5A1SRD5A2MAOBCYP2A6
SCHEMBL30436624 0.77 CES1 (0.65) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL27560594 0.77 CES1 (0.65) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL28858771 0.77 CES1 (0.65) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL28876918 0.77 CES1 (0.65) CES1SRD5A1SRD5A2MAOBCYP2A6
Dihydrophenanthrene SCHEMBL27973960 0.77 CES1 (0.65) CES1SRD5A1SRD5A2MAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 — — US claimed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 — — EP claimed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 — — WO claimed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 — — US claimed
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 — — US disclosed
CN-101189214-A Substituted 4, 5-dihydro-1, 2, 4-triazin-6-ones, 1, 2, 4-triazin-6-ones and their use as fungicides DOW AGROSCIENCES LLC (US) 2008-05-28 — — CN disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 — — EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 — — WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 — — 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 (1 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-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DDT, CYP4B1, CYP4X1 CES1 684/4885SRD5A1 473/4885SRD5A2 255/4885

“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.

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