SCHEMBL3476790

SCHEMBL3476790

CCCC1CCC(C2CCC(C=CC(=O)OCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
TLR4 O00206 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.30
KMT2A Q03164 1/20 0.30
TTR P02766 1/20 0.30
DPP4 P27487 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
SCHEMBL6516200 1.00 HCAR2 (0.39) HCAR2TLR4L3MBTL1TDP1MAPT
SCHEMBL6516202 1.00 HCAR2 (0.39) HCAR2TLR4L3MBTL1TDP1MAPT
SCHEMBL6516208 1.00 HCAR2 (0.39) HCAR2TLR4L3MBTL1TDP1MAPT
SCHEMBL3476789 1.00 HCAR2 (0.39) HCAR2TLR4L3MBTL1TDP1MAPT
SCHEMBL9868163 0.92 MAPT (0.37) HCAR2L3MBTL1TDP1MAPTATM
SCHEMBL9868171 0.92 MAPT (0.37) HCAR2L3MBTL1TDP1MAPTATM
SCHEMBL9868155 0.92 MAPT (0.37) HCAR2L3MBTL1TDP1MAPTATM
SCHEMBL9868168 0.92 MAPT (0.37) HCAR2L3MBTL1TDP1MAPTATM
SCHEMBL6522533 0.90 PKM (0.36) HCAR2L3MBTL1TDP1MAPTCYP2C9
SCHEMBL6522523 0.90 PKM (0.36) HCAR2L3MBTL1TDP1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
EP-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 EP disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 WO disclosed
EP-1179522-B1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2005-12-07 EP disclosed
US-6544604-B2 Large dielectric anisotropy and low refractive anisotropy; for driving elements at low voltage CHISSO CORPORATION (JP) 2003-04-08 US disclosed
US-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1179522-A1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 2002-02-13 EP disclosed
US-5032312-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-07-16 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 (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-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element OCIAD2, HCN2, OCIAD1 HCAR2 2535/4885TLR4 3890/4885L3MBTL1 928/4885
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications CUTA, MC1R, CTSG HCAR2 860/4885TLR4 1372/4885L3MBTL1 2830/4885

“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.