SCHEMBL26050409

SCHEMBL26050409

Clc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)ccc8-9)cc7)ccc5-6)cc4)ccc2-3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.56
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP2 O95551 1/20 0.39
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL26050380 1.00 PDK2 (0.56) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL31464140 1.00 PDK2 (0.56) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL12362770 1.00 PDK2 (0.56) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL22151245 0.94 PDK2 (0.51) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL26050366 0.93 PDK2 (0.50) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL25815231 0.90 PDK2 (0.49) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL25858527 0.90 PDK2 (0.49) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL16858256 0.90 PDK2 (0.49) PDK2CYP1A2KDM4EMEN1LMNA
SCHEMBL29897946 0.90 PDK2 (0.59) PDK2CYP1A2MEN1LMNAMAPT
SCHEMBL28854438 0.90 PDK2 (0.59) PDK2CYP1A2MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271989-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-08-31 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 (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 1385/4885CYP1A2 4158/4885KDM4E 3576/4885

“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.