SCHEMBL21344671

SCHEMBL21344671

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)COC)CC3)CC2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 5/20 0.42
MAPK1 P28482 4/20 0.41
CYP2D6 P10635 8/20 0.40
CYP3A4 P08684 7/20 0.40
TSHR P16473 4/20 0.40
CYP2C9 P11712 3/20 0.40
USP2 O75604 7/20 0.40
CYP2C19 P33261 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL21344241 0.94 CYP2D6 (0.42) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL21343727 0.91 ALDH1A1 (0.34) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL22992187 0.91 CGAS (0.32) ALDH1A1CYP1A2MAPK1CYP3A4
SCHEMBL22992188 0.90 ALDH1A1 (0.33) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL21343725 0.90 ALDH1A1 (0.35) ALDH1A1CYP1A2MAPK1TSHRTP53
SCHEMBL21343894 0.90 MMP1 (0.39) ALDH1A1CYP1A2MAPK1CYP2D6TSHR
SCHEMBL24120291 0.90 CYP2D6 (0.33) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL22992073 0.89 ALDH1A1 (0.32) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL21344284 0.89 TSHR (0.32) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4
SCHEMBL21332069 0.89 CYP2D6 (0.32) ALDH1A1CYP1A2MAPK1CYP2D6CYP3A4

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 6 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-2021018826-A1 CYCLIC DIONES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO 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 ALDH1A1 57/4885CYP1A2 14/4885MAPK1 3826/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 ALDH1A1 57/4885CYP1A2 14/4885MAPK1 3826/4885

“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.