SCHEMBL18856954

SCHEMBL18856954

CCCCn1ccc2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
HTR2A P28223 3/20 0.56
P2RX7 Q99572 1/20 0.51
CDK4 P11802 5/20 0.50
CCND1 P24385 5/20 0.50
SCN9A Q15858 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
GRIN2B Q13224 1/20 0.44
ICMT O60725 2/20 0.43
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL18856949 0.95 HTR2A (0.55) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL9231907 0.94 HTR2A (0.54) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL18856959 0.90 HTR2C (0.59) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL8434667 0.87 HTR2C (0.56) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL28833477 0.83 HTR2A (0.53) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL5638243 0.83 CDK4 (0.53) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL30564105 0.83 HTR2A (0.52) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL22930089 0.83 HTR2C (0.60) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL14041133 0.82 HTR2C (0.63) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL5791630 0.82 P2RX7 (0.53) HTR2CHTR2AP2RX7CDK4CCND1

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 2 patents. 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
WO-2017082924-A1 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) 2017-05-18 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK HTR2C 4526/4885HTR2A 4587/4885P2RX7 4027/4885

“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.