SCHEMBL1067772

SCHEMBL1067772

COC(=O)CCC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
KLK7 P49862 3/20 0.37
NAAA Q02083 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL698490 0.86
Hydrochloric Acid SCHEMBL14167163 0.84 TSHR (0.52) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL697221 0.82 ALDH1A1 (0.50) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL697966 0.82 TSHR (0.50) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL7282596 0.81 TSHR (0.50) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL23480567 0.80 KLK7 (0.41) ALDH1A1MEN1KMT2AKLK7EPHX2
SCHEMBL30772713 0.80 TSHR (0.40) GLATSHRALDH1A1MEN1KMT2A
SCHEMBL9130829 0.80 HPGD (0.53) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL2907816 0.80 HPGD (0.53) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL1604518 0.80 BRD4 (0.43) GLATSHRALDH1A1KMT2AMAPT

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-20230348494-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2023-11-02 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20230348494-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 GLA 2788/4885TSHR 4551/4885ALDH1A1 946/4885

“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.