SCHEMBL21344285

SCHEMBL21344285

C=CCOCC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(C#CC)cc1C)C(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 2/20 0.30
HPGD P15428 1/20 0.30
CYP2D6 P10635 3/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL21343725 0.90 ALDH1A1 (0.35) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL21344852 0.89 BDKRB1 (0.32) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL21344671 0.88 ALDH1A1 (0.42) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL29341784 0.88 MAPK1 (0.34) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL21344287 0.88 ALDH1A1 (0.32) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL21343735 0.88 MAPK1 (0.31) MAPK1ALDH1A1CYP1A2
SCHEMBL21343727 0.88 ALDH1A1 (0.34) MAPK1ALDH1A1CYP1A2TSHRHPGD
SCHEMBL22992187 0.87 CGAS (0.32) MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL22992082 0.87 USP2 (0.36) MAPK1ALDH1A1CYP1A2TSHRCYP2D6
SCHEMBL22992188 0.87 ALDH1A1 (0.33) MAPK1ALDH1A1CYP1A2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO 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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 MAPK1 3826/4885ALDH1A1 57/4885CYP1A2 14/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 MAPK1 3826/4885ALDH1A1 57/4885CYP1A2 14/4885

“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.