SCHEMBL22930103

SCHEMBL22930103

CCCCCCC(CCCCCC)Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CSNK1E P49674 1/20 0.41
▸ BDKRB2 P30411 4/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MME P08473 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL22930105 1.00 LMNA (0.49) LMNACYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL19350974 0.98 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19CSNK1E
Hydrochloric Acid SCHEMBL391948 0.89 LMNA (0.46) LMNACYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL1498212 0.85 CYP1A2 (0.42) LMNACYP1A2CYP2D6CYP2C19BDKRB2
SCHEMBL22930104 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL22930106 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL19350979 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL28265214 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL19350978 0.84 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL15736896 0.82 BDKRB2 (0.52) CSNK1EBDKRB2MMEESR1SLC6A4

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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 — — 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK LMNA 3095/4885CYP1A2 4883/4885CYP2D6 4706/4885

“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.

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