SCHEMBL13825842

SCHEMBL13825842

CCOC(=O)[C@H]1[C@@H]2CC/C=C/CC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ PPM1B O75688 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PPP1CC P36873 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL30391857 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL30122814 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12176993 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL14771529 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL13825843 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12176994 1.00 RAB9A (0.47) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL15712143 0.86 PPM1B (0.53) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL25467328 0.82 PPM1B (0.50) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL3985705 0.82 PPM1B (0.50) RAB9APPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5791356 0.82 PPM1B (0.50) RAB9APPM1BPTPN1PPP1CCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214917-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2016-07-28 — — US disclosed
US-20160214917-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2016-07-28 — — US disclosed
US-9222940-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2015-12-29 — — US disclosed
US-9222940-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2015-12-29 — — US disclosed
EP-2894142-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SynAffix B.V. (NL) 2015-07-15 — — EP disclosed
US-20150125892-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2015-05-07 — — US disclosed
US-20150125892-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2015-05-07 — — US disclosed
US-8889851-B2 Methods for the synthesis and purification of oligomers AGILENT TECHNOLOGIES, INC. (US) 2014-11-18 — — US disclosed
US-8889851-B2 Methods for the synthesis and purification of oligomers AGILENT TECHNOLOGIES, INC. (US) 2014-11-18 — — US disclosed
EP-2563753-B1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX BV (NL) 2014-11-05 — — EP disclosed
US-8859629-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2014-10-14 — — US disclosed
US-8859629-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2014-10-14 — — US disclosed
EP-2599785-A1 Novel methods for the synthesis and purification of oligomers Agilent Technologies, Inc. (US) 2013-06-05 — — EP disclosed
US-20130137763-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. 2013-05-30 — — US disclosed
US-20130137861-A1 NOVEL METHODS FOR THE SYNTHESIS AND PURIFICATION OF OLIGOMERS AGILENT TECHNOLOGIES, INC. (US) 2013-05-30 — — US disclosed
US-20130137763-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. 2013-05-30 — — US disclosed
US-20130137861-A1 NOVEL METHODS FOR THE SYNTHESIS AND PURIFICATION OF OLIGOMERS AGILENT TECHNOLOGIES, INC. (US) 2013-05-30 — — US disclosed
EP-2522369-A1 Pretargeting kit, method and agents used therein Koninklijke Philips Electronics N.V. (NL) 2012-11-14 — — EP disclosed
WO-2011136645-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS STICHTING KATHOLIEKE UNIVERSITEIT, MORE PARTICULARLY RADBOUD UNIVERSITY NIJMEGEN (NL) 2011-11-03 — — 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 (4 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-20130137861-A1 NOVEL METHODS FOR THE SYNTHESIS AND PURIFICATION OF OLIGOMERS RTCB, CACYBP, PHAX RAB9A 4731/4885PPM1B 2032/4885PTPN1 2977/4885
US-20130137763-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS MPI, SQLE, TACR3 RAB9A 3302/4885PPM1B 4239/4885PTPN1 4258/4885
US-20160214917-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS MPI, SQLE, TACR3 RAB9A 3302/4885PPM1B 4239/4885PTPN1 4258/4885
US-20150125892-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS MPI, SQLE, TACR3 RAB9A 3302/4885PPM1B 4239/4885PTPN1 4258/4885

“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.

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