SCHEMBL16543717

SCHEMBL16543717

CC(=O)CN1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 2/20 0.37
ACHE P22303 1/20 0.37
ACE P12821 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL13248904 1.00 RECQL (0.41) RECQLGAAALDH1A1GLAHPGD
SCHEMBL13248935 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDESR2
SCHEMBL3113944 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDESR2
SCHEMBL13069241 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDESR2
SCHEMBL17756759 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDESR2
SCHEMBL28044031 0.81 MGLL (0.37) RECQLGAAALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL3113711 0.80 ALDH1A1 (0.40) RECQLGAAALDH1A1GLAHPGD
SCHEMBL17039163 0.80 RECQL (0.39) RECQLALDH1A1GLAHPGDESR2
SCHEMBL17244066 0.78 RECQL (0.38) RECQLALDH1A1GLAHPGDESR2
SCHEMBL13069236 0.78 RECQL (0.38) RECQLALDH1A1GLAHPGDESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146544-A1 MASS SPECTROMETRIC QUANTITATION ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
EP-2467350-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2015-11-11 EP disclosed
US-20150065392-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2015-03-05 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-20150065392-A1 MASS LABELS SRMS, PTMS, B2M RECQL 2829/4885GAA 2359/4885ALDH1A1 2559/4885

“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.