SCHEMBL22992121

SCHEMBL22992121

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NAMPT P43490 1/20 0.33
HTT P42858 1/20 0.33
ALK Q9UM73 1/20 0.32
DPP4 P27487 1/20 0.32
KIT P10721 1/20 0.31
MTNR1B P49286 2/20 0.30
MTNR1A P48039 1/20 0.30
POLB P06746 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HIF1A Q16665 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
SCHEMBL21344863 0.90 ADAM17 (0.38) KMT2AHTTPOLBCNR1CNR2
SCHEMBL21343739 0.90 ITGB3 (0.31)
SCHEMBL24324952 0.90
SCHEMBL21344858 0.89 MEN1 (0.32) KMT2APOLB
SCHEMBL22992191 0.89 APOL1 (0.30)
SCHEMBL21344260 0.89
SCHEMBL21344757 0.89 L3MBTL1 (0.31) KMT2A
SCHEMBL22992095 0.89 PIK3CA (0.34) POLBHIF1A
SCHEMBL22992148 0.88 USP19 (0.33)
SCHEMBL21344860 0.88 FASN (0.34) KMT2A

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 3 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
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

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 KMT2A 656/4885BRD4 2582/4885OPRD1 3405/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 KMT2A 656/4885BRD4 2582/4885OPRD1 3405/4885

“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.