SCHEMBL2070705

SCHEMBL2070705

CC(C)(C)OC(=O)N1CCC=C1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
KDM1A O60341 1/20 0.36
NR1H2 P55055 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21915012 0.84 KDM1A (0.37) HDAC1HDAC6USP2SMN1; SMN2CTSK
SCHEMBL12411167 0.83 TDP1 (0.37) HDAC1HDAC6USP2SMN1; SMN2CTSK
SCHEMBL14112126 0.78 USP2 (0.40) USP2SMN1; SMN2CTSKKDM1ANR1H2
SCHEMBL12661063 0.77 STS (0.33) HDAC1HDAC6KDM1ANR1H2GPR119
SCHEMBL12411168 0.75 PDE4B (0.39) HDAC1HDAC6USP2SMN1; SMN2KDM1A
SCHEMBL13588590 0.75 GPR119 (0.38) USP2SMN1; SMN2CTSKKDM1ANR1H2
SCHEMBL23620128 0.73 SCN5A (0.38) HDAC1HDAC6USP2SMN1; SMN2KDM1A
SCHEMBL2738361 0.73 LMNA (0.44) HDAC1HDAC6USP2SMN1; SMN2KDM1A
SCHEMBL4947670 0.72 ESR2 (0.44) USP2SMN1; SMN2NR1H2GPR119MEN1
Hydrochloric Acid SCHEMBL27814487 0.72 LMNA (0.43) HDAC1HDAC6USP2SMN1; SMN2KDM1A

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
US-20110166170-A1 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-07-07 US disclosed
US-7902196-B2 Synthesis of avrainvillamide, strephacidin B, and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-03-08 US disclosed
US-7902196-B2 Synthesis of avrainvillamide, strephacidin B, and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-03-08 US disclosed
US-20090143581-A1 SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-04 US disclosed
US-20090143581-A1 SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-04 US disclosed
EP-1863800-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-12-12 EP disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 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 (2 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-20110166170-A1 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF MDN1, VASP, ATRIP HDAC1 2259/4885HDAC6 1044/4885USP2 2235/4885
US-20090143581-A1 SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF MDN1, BIRC3, STAMBP HDAC1 2665/4885HDAC6 1540/4885USP2 2561/4885

“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.