SCHEMBL27252012

SCHEMBL27252012

COc1cnc2c(=O)n(C(C)C)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.38
MET P08581 4/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HTR2C P28335 1/20 0.34
KDM5B Q9UGL1 2/20 0.33
POLB P06746 1/20 0.33
NTRK1 P04629 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL27251598 0.81 CCR1 (0.50)
SCHEMBL27262437 0.81 RELA (0.40) RELAPDE3BPDE3AALDH1A1F2
SCHEMBL27251597 0.79 DPP4 (0.38) HTR2CCDK1
SCHEMBL27255853 0.77 KDM4E (0.46) RELAPDE3BPDE3AHTR2C
SCHEMBL27251599 0.76 KDM5B (0.37) KDM5BNTRK1
SCHEMBL28604404 0.75 KDM4E (0.46) HTR2C
SCHEMBL30492638 0.72 RELA (0.52) RELAPDE3BPDE3AALDH1A1F2
SCHEMBL6347577 0.72 RELA (0.52) RELAPDE3BPDE3AALDH1A1F2
SCHEMBL22214046 0.71 HTR2A (0.44) HPGDHTR2CPOLB
SCHEMBL23336563 0.68 TDP1 (0.30)

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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 RELA 3483/4885MET 3510/4885PDE3B 1648/4885

“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.