SCHEMBL21174998

SCHEMBL21174998

CCC(CC)CNC(=O)c1cc(=O)c2cc(F)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.51
THRB P10828 2/20 0.51
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR2 Q969V1 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL21174931 0.91 POLB (0.51) POLBTHRBLMNAKMT2AMEN1
SCHEMBL21187013 0.79 ALDH1A1 (0.52) POLBTHRBKCNH2MCHR2MCHR1
SCHEMBL21174980 0.78 POLB (0.47) POLBTHRBLMNAKMT2AMEN1
SCHEMBL21174957 0.75 POLB (0.47) POLBTHRBLMNAKMT2AMEN1
SCHEMBL21174988 0.75 METTL3 (0.57) POLBTHRBLMNAKCNH2MCHR2
SCHEMBL21174930 0.75 ACHE (0.48) POLBTHRBLMNAKMT2AMEN1
Methane SCHEMBL10522068 0.75 POLB (0.62) POLBTHRBLMNAKMT2AMEN1
SCHEMBL5206777 0.75 GABRP (0.54) LMNAKMT2AMEN1KCNH2MCHR2
SCHEMBL9685165 0.74 KDM4E (0.58) POLBTHRBKMT2ASMN1; SMN2
SCHEMBL9683333 0.74 ALDH1A1 (0.60) POLBTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 POLB 1211/4885THRB 2747/4885LMNA 2536/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 POLB 1211/4885THRB 2747/4885LMNA 2536/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 POLB 1062/4885THRB 2619/4885LMNA 2610/4885

“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.