SCHEMBL80771

SCHEMBL80771

CC1CCC(C2CCC(C3Oc4ccc5ccccc5c4-c4c(ccc5ccccc45)O3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP19A1 P11511 1/20 0.36
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL83697 0.98 TAAR1 (0.40) TAAR1GPR84CYP19A1ACHEGAA
SCHEMBL14088672 0.82 CYP1A2 (0.44) TAAR1GPR84CYP19A1GAAL3MBTL1
SCHEMBL12154323 0.82 CYP19A1 (0.48) TAAR1GPR84CYP19A1ACHEGAA
SCHEMBL91867 0.82 CYP19A1 (0.48) TAAR1GPR84CYP19A1ACHEGAA
SCHEMBL12219580 0.81 CYP1A2 (0.45) TAAR1GPR84CYP19A1GAAL3MBTL1
SCHEMBL84599 0.77 KDM4E (0.38) TAAR1GPR84CYP19A1ACHEGAA
SCHEMBL84231 0.76 TAAR1 (0.49) TAAR1GPR84CYP19A1GAANPC1
SCHEMBL21524247 0.74 CYP19A1 (0.46) TAAR1GPR84CYP19A1GAAL3MBTL1
SCHEMBL21524299 0.73 CYP19A1 (0.54) GPR84CYP19A1GAAL3MBTL1KDM4E
SCHEMBL21524253 0.71 KDM4E (0.40) GPR84CYP19A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7927671-B2 Having two polymerizable groups at an end of a molecular long axis and one polymerizable group at an end of a molecular short axis; heat resistance, shrinkage, adhesive property, close adhesiveness, mechanical strength; liquid crystal display CHISSO CORPORATION (JP) 2011-04-19 US disclosed
US-7919648-B2 Lateral α-substituted acrylate compound and polymer thereof CHISSO CORPORATION (JP) 2011-04-05 US disclosed
US-7785488-B2 Lateral oxirane compound and polymer thereof CHISSO CORPORATION (JP) 2010-08-31 US disclosed
EP-1658350-B1 COMPOUNDS FOR USE IN LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2010-01-20 EP disclosed
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080081133-A1 Trifunctional compound, composition and polymer thereof CHISSO CORPORATION 2008-04-03 US disclosed
US-20070134447-A1 Lateral a-substituted acrylate compound and polymer thereof CHISSO CORPORATION 2007-06-14 US disclosed
US-20070134440-A1 Lateral oxirane compound and polymer thereof CHISSO CORPORATION 2007-06-14 US disclosed
EP-1561150-B1 ELECTROOPTICAL LIGHT MODULATING ELEMENT, ELECTROOPTICAL DISPLAY AND MODULATING MEDIUM MERCK PATENT GMBH (DE) 2007-01-03 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-20080081133-A1 Trifunctional compound, composition and polymer thereof OXER1, AFF1, OXGR1 TAAR1 1219/4885GPR84 2689/4885CYP19A1 452/4885
US-20070134447-A1 Lateral a-substituted acrylate compound and polymer thereof AFF1, CNKSR1, LEF1 TAAR1 1682/4885GPR84 3635/4885CYP19A1 2001/4885

“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.