SCHEMBL2033203

SCHEMBL2033203

C#CC1(O)CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2033206 1.00 TLR4 (0.34) TLR4LMNAMAPK1HTTALDH1A1
SCHEMBL12048501 0.89 ALDH1A1 (0.33) LMNAMAPK1HTTALDH1A1
SCHEMBL13332165 0.89 PKM (0.38) LMNAMAPK1HTT
SCHEMBL18922805 0.86 TLR4 (0.35) TLR4
SCHEMBL18922959 0.83 TLR4 (0.31) TLR4
SCHEMBL13072135 0.83 TLR4 (0.34) TLR4
SCHEMBL18922804 0.80 TLR4 (0.33) TLR4
SCHEMBL13361196 0.80 TLR4 (0.38) TLR4LMNAMAPK1HTTALDH1A1
SCHEMBL7857566 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13332135 0.79 ALDH1A1 (0.37) TLR4LMNAMAPK1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46426-E1 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
US-RE46426-E1 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20100222534-A1 Mesogenic Dimers MERCK PATENT GESELLSCHAFT (DE) 2010-09-02 US disclosed
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PARRI OWAIN LLYR 2010-05-06 US disclosed
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PARRI OWAIN LLYR 2010-05-06 US disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2009039937-A1 MESOGENIC DIMERS MERCK PATENT GMBH (DE) 2009-04-02 WO disclosed
WO-2008119427-A1 BIREFRINGENT POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2008-10-09 WO disclosed
EP-1006098-B1 Cross-bridged cyclohexane derivatives and liquid crystal medium MERCK PATENT GMBH (DE) 2004-04-07 EP disclosed
US-6303194-B1 USED IN LIQUID-CRYSTAL AND ELECTRO-OPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT (DE) 2001-10-16 US disclosed
US-6203724-B1 FOR LIQUD CRYSTAL DISPLAYS, OPTICAL SWITCHES, OPTICAL FILTERS, ELECTRO-OPTICAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-1006098-A2 Cross-bridged cyclohexane derivatives and liquid crystal medium MERCK PATENT GmbH (DE) 2000-06-07 EP 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-20100222534-A1 Mesogenic Dimers PML, MLEC, MTX2 TLR4 3280/4885LMNA 375/4885MAPK1 4429/4885
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PUF60, LCP1, MAP1LC3C TLR4 4020/4885LMNA 371/4885MAPK1 2840/4885

“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.