SCHEMBL809690

SCHEMBL809690

CCCCCCCC[N+]1=C2CCCCCN2CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.35
NPC1 O15118 3/20 0.31
LMNA P02545 3/20 0.31
SLC2A1 P11166 3/20 0.31
RAB9A P51151 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PAX8 Q06710 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NTSR1 P30989 1/20 0.31
NPY5R Q15761 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL809918 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL810016 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL810033 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL809752 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL809578 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL809728 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL809788 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL810056 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL810164 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A
SCHEMBL809978 1.00 CCR5 (0.35) CCR5NPC1LMNASLC2A1RAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518072-B2 Ester-functional silanes and the preparation and use thereof; and use of iminium compounds as phase transfer catalysts DOW CORNING CORPORATION (US) 2016-12-13 US disclosed
US-9295981-B2 Method for producing ester compound by reacting an unsaturated organic compound and a formic acid ester in the presence of a catalyst system containing a ruthenium compound, a cobalt compound and a halide salt HITACHI CHEMICAL COMPANY, LTD. (JP) 2016-03-29 US disclosed
US-20150126676-A1 Ester-Functional Silanes And The Preparation And Use Thereof; And Use Of Iminium Compounds As Phase Transfer Catalysts DOW SILICONES CORPORATION 2015-05-07 US disclosed
EP-2000453-B1 METHOD FOR PRODUCING ALCOHOL BY USING CARBON DIOXIDE AS RAW MATERIAL HITACHI CHEMICAL CO LTD (JP) 2014-12-03 EP disclosed
US-8653301-B2 Tricyclodecane monomethanol monocarboxylic acid and derivatives thereof HITACHI CHEMICAL COMPANY, LTD. (JP) 2014-02-18 US disclosed
EP-2206694-B1 METHOD FOR PRODUCING ALCOHOL USING CARBON DIOXIDE AS RAW MATERIAL HITACHI CHEMICAL CO LTD (JP) 2014-02-12 EP disclosed
US-20140031579-A1 METHOD OF PRODUCING NORBORNANEDICARBOXYLIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2014-01-30 US disclosed
US-8580886-B2 Method for the preparation and use of bis (alkoxysilylorgano)-dicarboxylates DOW CORNING CORPORATION (US) 2013-11-12 US disclosed
US-20130072625-A1 Method for the Preparation and Use of Bis (Alkoxysilylorgano)-Dicarboxylates DOW CORNING CORPORATION (US) 2013-03-21 US disclosed
EP-2492258-A1 METHOD FOR MANUFACTURING A TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE Hitachi Chemical Company, Ltd. (JP) 2012-08-29 EP disclosed
EP-2460785-A1 METHOD FOR PRODUCING ESTER COMPOUND Hitachi Chemical Company, Ltd. (JP) 2012-06-06 EP disclosed
US-20120123146-A1 METHOD FOR PRODUCING ESTER COMPOUND HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-05-17 US disclosed
EP-2098567-B1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF DENKI KAGAKU KOGYO KK (JP) 2011-11-16 EP disclosed
US-8012556-B2 Acrylic rubber composition and its vulcanized product DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-09-06 US disclosed
EP-2206694-A1 METHOD FOR PRODUCING ALCOHOL USING CARBON DIOXIDE AS RAW MATERIAL Hitachi Chemical Company, Ltd. (JP) 2010-07-14 EP disclosed
US-20100009105-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZED PRODUCT DENKI KAGAKU KIGYO KABUSHIKI KAISHA (JP) 2010-01-14 US disclosed
EP-2098567-A1 ACRYLIC RUBBER COMPOSITION AND VULCANIZATE THEREOF Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2009-09-09 EP disclosed
EP-2000453-A9 METHOD FOR PRODUCING ALCOHOL BY USING CARBON DIOXIDE AS RAW MATERIAL Hitachi Chemical Co., Ltd. (JP) 2009-03-11 EP disclosed
EP-2000453-A2 METHOD FOR PRODUCING ALCOHOL BY USING CARBON DIOXIDE AS RAW MATERIAL Hitachi Chemical Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 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 (3 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-20130072625-A1 Method for the Preparation and Use of Bis (Alkoxysilylorgano)-Dicarboxylates PBRM1, IPMK, BOLA2; BOLA2B CCR5 4057/4885NPC1 3212/4885LMNA 890/4885
US-20150126676-A1 Ester-Functional Silanes And The Preparation And Use Thereof; And Use Of Iminium Compounds As Phase Transfer Catalysts ICMT, INTS9, HDHD5 CCR5 1514/4885NPC1 1601/4885LMNA 578/4885
US-20140031579-A1 METHOD OF PRODUCING NORBORNANEDICARBOXYLIC ACID ESTER HSD11B2, HSD17B12, HSD11B1 CCR5 2581/4885NPC1 1999/4885LMNA 3048/4885

“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.