SCHEMBL1786420

SCHEMBL1786420

CC(C)=CCC[C@]1(C)C[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
ALOX15 P16050 4/20 0.32
CYP3A4 P08684 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 3/20 0.31
UGT1A1 P22309 1/20 0.31
PTGES O14684 2/20 0.31
NR1I2 O75469 1/20 0.31
DLAT P10515 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
SQLE Q14534 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
SCHEMBL1786418 1.00 CNR2 (0.34) CNR2ALOX15CYP3A4KMT2AMEN1
SCHEMBL13949346 1.00 CNR2 (0.34) CNR2ALOX15CYP3A4KMT2AMEN1
SCHEMBL14364476 1.00 CNR2 (0.34) CNR2ALOX15CYP3A4KMT2AMEN1
SCHEMBL13949343 1.00 CNR2 (0.34) CNR2ALOX15CYP3A4KMT2AMEN1
SCHEMBL13949344 1.00 CNR2 (0.34) CNR2ALOX15CYP3A4KMT2AMEN1
SCHEMBL30312097 0.84 CNR2 (0.38) CNR2
SCHEMBL2210373 0.83 CNR2 (0.30) CNR2SQLE
SCHEMBL21971114 0.83 CNR2 (0.30) CNR2
SCHEMBL14603679 0.80
SCHEMBL3953711 0.76 TRPA1 (0.34) CYP3A4MAPTPTGESNR1I2DLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287297-B2 Epoxyazulene derivatives useful for treating cancer and diabetes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-05-14 US disclosed
US-20180127433-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2018-05-10 US disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 US disclosed
WO-2009023980-A1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2009-02-26 WO disclosed
US-20090016976-A1 CITRAL AND CITRONELLAL DERIVATIVES FLEXITRAL INC. (US) 2009-01-15 US disclosed
US-20090016976-A1 CITRAL AND CITRONELLAL DERIVATIVES FLEXITRAL INC. (US) 2009-01-15 US disclosed
US-20070276152-A1 Aromachemicals FLEXITRAL, INC. (US) 2007-11-29 US disclosed
US-20070264340-A1 Aromachemicals FLEXITRAL, INC. (US) 2007-11-15 US disclosed
US-20070259042-A1 Cyclopropanated Aromachemicals FLEXITRAL, INC. (US) 2007-11-08 US disclosed
US-7169930-B2 Analogs of epothilone THE SCRIPPS RESEARCH INSTITUTE (US) 2007-01-30 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 (7 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-20090016976-A1 CITRAL AND CITRONELLAL DERIVATIVES TAS2R5, TAS2R8, OXGR1 CNR2 418/4885ALOX15 945/4885CYP3A4 851/4885
US-10287297-B2 Epoxyazulene derivatives useful for treating cancer and diabetes ESRRA, ESRRB, ESRRG CNR2 1429/4885ALOX15 38/4885CYP3A4 565/4885
US-20070276152-A1 Aromachemicals TAS2R1, OR10J3, TAS2R4 CNR2 430/4885ALOX15 1288/4885CYP3A4 95/4885
US-20110124924-A1 Cyclopropanation Process CBR3, CYP4F3, DBF4 CNR2 134/4885ALOX15 286/4885CYP3A4 53/4885
US-20070264340-A1 Aromachemicals OR10J3, CBR3, OR51E2 CNR2 451/4885ALOX15 572/4885CYP3A4 37/4885
US-20070259042-A1 Cyclopropanated Aromachemicals CBR3, OR10J3, OR51E2 CNR2 110/4885ALOX15 507/4885CYP3A4 22/4885
US-20180127433-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES ESRRA, ESRRB, ESRRG CNR2 1429/4885ALOX15 38/4885CYP3A4 565/4885

“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.