SCHEMBL2048291

SCHEMBL2048291

C=CCC1(CC(=O)OCC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
PRKCA P17252 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL7905900 0.81 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4603085 0.79 GAA (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL7515086 0.79 GAA (0.46) GAAMGAMSIMGAM2KMT2A
SCHEMBL1660371 0.77 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL14493845 0.76 ALDH1A1 (0.38) GAAMGAMSIMGAM2KMT2A
SCHEMBL8243153 0.76 ALDH1A1 (0.47) GAAMGAMSIMGAM2KMT2A
SCHEMBL9013770 0.76 KDM4E (0.37) GAAMGAMSIMGAM2KMT2A
SCHEMBL18573883 0.76 CYP1A2 (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL16753659 0.76 GAA (0.48) GAAMGAMSIMGAM2KMT2A
SCHEMBL3903468 0.76 GAA (0.43) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL GAA 175/4885MGAM 2131/4885SI 895/4885

“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.