SCHEMBL21332010

SCHEMBL21332010

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)C4CC4)CC3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MGLL Q99685 4/20 0.32
SMYD3 Q9H7B4 1/20 0.32
BRD4 O60885 1/20 0.32
CNR1 P21554 2/20 0.32
ADAM17 P78536 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
TNKS O95271 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL22992014 0.96 BRD4 (0.37) ALDH1A1MEN1KMT2AMGLLBRD4
SCHEMBL29341749 0.94 CNR1 (0.33) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL22992046 0.93 EPHX2 (0.36) ALDH1A1MEN1KMT2APOLBMGLL
SCHEMBL22992234 0.92 GAA (0.38) ALDH1A1MEN1KMT2AGAAMGLL
SCHEMBL21344743 0.91 MGLL (0.33) MGLL
SCHEMBL22942018 0.90 RORC (0.32) GAABRD4CNR1ITGB3ITGA2B
SCHEMBL21343721 0.89 EPHX2 (0.38) KMT2A
SCHEMBL23748395 0.89 MGLL (0.32) MGLL
SCHEMBL22942019 0.88 RORC (0.33)
SCHEMBL22992145 0.88 GAA (0.33) GAA

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 11 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
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
CN-111886229-B Herbicidal compounds 先正达参股股份有限公司 2023-12-29 CN disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP 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
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
EP-3762378-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-13 EP 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 57/4885MEN1 3738/4885KMT2A 656/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 ALDH1A1 57/4885MEN1 3738/4885KMT2A 656/4885

“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.