SCHEMBL23745787

SCHEMBL23745787

CCCCCCC(C)(CCCCCC)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CNR2 P34972 8/20 0.40
CNR1 P21554 7/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19464361 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL20181885 0.94 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL18737472 0.93 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL21108598 0.90 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL22692562 0.87 CA1 (0.39) CYP1A2CYP2D6CYP2C19LMNAPOLB
SCHEMBL26265942 0.87 CNR2 (0.52) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL27991722 0.85 CNR2 (0.50) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL10237587 0.84 SCN5A (0.44) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL16596493 0.82 CYP2D6 (0.43) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL18994837 0.79 CA1 (0.41) CYP1A2CYP2D6CYP2C19CA1CA2

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CYP1A2 331/4885CYP2D6 220/4885CYP2C19 139/4885

“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.