SCHEMBL988620

SCHEMBL988620

CCOC(=O)CC(C)(C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HSD11B1 P28845 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
PPID Q08752 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KCNA3 P22001 1/20 0.40
OPRM1 P35372 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL437664 0.87 ESR1 (0.53) POLBHSD11B1ALDH1A1MAPTMEN1
SCHEMBL29983875 0.85 POLB (0.51) POLBHSD11B1SMN1; SMN2ALDH1A1PPID
SCHEMBL8311559 0.84 OPRM1 (0.49) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2636117 0.83 SMN1; SMN2 (0.46) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31316615 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16629075 0.81 SMN1; SMN2 (0.44) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9734283 0.79 CCR1 (0.47) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5972547 0.79 CYP2C19 (0.61) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21447568 0.79 HSD11B1 (0.52) POLBHSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8079696 0.79 HSD11B1 (0.52) POLBHSD11B1SMN1; SMN2ALDH1A1PPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180613-A It is a kind of containing bridged ring and and (E)-alpha-methylene-gamma-butyrolactone of ring structure or the synthetic method of furan compound 华南理工大学 2019-01-11 CN disclosed
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
US-8592395-B2 Therapeutic compounds GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2456309-A1 THERAPEUTIC COMPOUNDS GlaxoSmithKline LLC (US) 2012-05-30 EP disclosed
WO-2011011652-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 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-20120295877-A1 Therapeutic Compounds CCR5, CCR1, CXCR3 POLB 2447/4885HSD11B1 272/4885SMN1; SMN2 2876/4885

“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.