SCHEMBL24257913

SCHEMBL24257913

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCCCCCCC)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.41
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
APEX1 P27695 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
GPR3 P46089 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP2C9 P11712 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL29789010 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL27194802 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL989818 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL23759843 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1795297 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL29466105 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1923129 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL31531021 0.97 PDK2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL4631076 0.96 PDK2 (0.44) PDK2MMP2MMP9MMP8MMP13
SCHEMBL16663579 0.93 CNR1 (0.35) PDK2MMP2MMP9MMP8MMP13

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-20230271989-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-08-31 US disclosed
US-20230271989-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-08-31 US disclosed
WO-2022034046-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2022-02-17 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 (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-20230271989-A1 METAL COMPLEXES AP3M1, AP1M1, AP2M1 PDK2 1385/4885MMP2 4681/4885MMP9 3108/4885

“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.