SCHEMBL21175006

SCHEMBL21175006

O=C(NCC1CCCCC1)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
MCHR1 Q99705 1/20 0.53
BCHE P06276 3/20 0.49
METTL3 Q86U44 4/20 0.48
ALOX5 P09917 2/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
MLYCD O95822 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL21174978 0.86 ACHE (0.71) ACHEMCHR1BCHEMETTL3ALOX5
SCHEMBL21175010 0.84 ACHE (0.58) ACHEBCHEMETTL3ALOX5POLB
SCHEMBL21174988 0.83 METTL3 (0.57) ACHEMCHR1BCHEMETTL3ALOX5
SCHEMBL19744227 0.82 POLB (0.64) ACHEMETTL3POLB
SCHEMBL19744231 0.82 MAOB (0.57) ACHEBCHEMETTL3ALOX5POLB
SCHEMBL21174982 0.81 METTL3 (0.67) ACHEMCHR1BCHEMETTL3ALOX5
SCHEMBL21175004 0.81 POLB (0.65) ACHEMCHR1METTL3POLB
SCHEMBL21174948 0.81 MEN1 (0.53) ACHEMCHR1BCHEMETTL3ALOX5
SCHEMBL30224979 0.80 METTL3 (0.51) ACHEBCHEMETTL3ALOX5POLB
SCHEMBL19744054 0.80 METTL3 (0.51) ACHEBCHEMETTL3ALOX5POLB

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 ACHE 2293/4885MCHR1 1364/4885BCHE 2415/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 ACHE 2293/4885MCHR1 1364/4885BCHE 2415/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 ACHE 1974/4885MCHR1 1396/4885BCHE 2419/4885

“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.