SCHEMBL6534698

SCHEMBL6534698

Oc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
LMNA P02545 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGS2 P35354 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALKBH1 Q13686 2/20 0.51
P4HTM Q9NXG6 1/20 0.50
MAOB P27338 2/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
BLM P54132 3/20 0.48
CYP1A1 P04798 1/20 0.48

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
SCHEMBL28646599 0.90 RAB9A (0.52) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL7092038 0.89 LMNA (0.67) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL6534828 0.87 LMNA (0.62) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL7838019 0.86 ESR2 (0.50) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL28658874 0.85 ALKBH1 (0.50) LMNAMEN1KMT2AALKBH1P4HTM
SCHEMBL8572314 0.85 NPC1 (0.57) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL28643999 0.85 ALKBH1 (0.47) LMNARAB9ANPC1ALKBH1P4HTM
SCHEMBL2559067 0.84 P4HTM (0.49) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL28652217 0.83 F2 (0.50) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL8424909 0.83 NAAA (0.55) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100338175-C Chiral liquid crystal compounds having fluorine-containing terminal moieties MINNESOTA MINING & MFG (US) 2007-09-19 CN disclosed
US-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
CN-1106371-C Liquid crystal compounds having perfluoroether terminal moieties MINNESOTA MINING & MFG (US) 2003-04-23 CN disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 US disclosed
EP-0638112-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2002-08-07 EP disclosed
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
EP-1017757-B1 FERROELECTRIC LIQUID CRYSTAL DISPLAY PROVIDED WITH ACTIVE- MATRIX ELEMENTS AVENTIS RES & TECH GMBH & CO (DE) 2002-04-10 EP disclosed
US-6368679-B1 ENANTIOMORPHS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-04-09 US disclosed
EP-0998541-B1 CHIP CARD WITH A BISTABLE LIQUID CRYSTAL DISPLAY AVENTIS RES & TECH GMBH & CO (DE) 2002-03-13 EP disclosed
CN-1326494-A Chiral liquid crystal compounds having fluorinated terminal portion MINNESOTA MINING & MFG (US) 2001-12-12 CN disclosed
US-5399291-A Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed
US-5360576-A Chiral alkenylaryl 2,3-epoxyalkyl ethers, and the use thereof in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0618914-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed
WO-1993013093-A1 OXIRANYL METHYL ETHERS EXHIBITING CHIRALITY, AND THEIR USE AS DOPANTS IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0540572-A1 CHIRAL ALKEN-ARYL-2,3-EPOXYALKYL-ETHERS AND THEIR USE IN LIQUID CRYSTAL MIXTURES. HOECHST AG (DE) 1993-05-12 EP disclosed
EP-0540571-A1 Si-CONTAINING, FERROELECTRIC LIQUID CRYSTAL COPOLYMERS, A PROCESS FOR PRODUCING THE SAME, MIXTURES OF THESE COPOLYMERS WITH LOW MOLECULAR WEIGHT LIQUID CRYSTALS AND THEIR USE IN ELECTRO-OPTIC COMPONENTS HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
WO-1992001685-A1 CHIRAL ALKEN-ARYL-2,3-EPOXYALKYL-ETHERS AND THEIR USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-06 WO disclosed
WO-1992001764-A1 Si-CONTAINING, FERROELECTRIC LIQUID CRYSTAL COPOLYMERS, A PROCESS FOR PRODUCING THE SAME, MIXTURES OF THESE COPOLYMERS WITH LOW MOLECULAR WEIGHT LIQUID CRYSTALS AND THEIR USE IN ELECTRO-OPTIC COMPONENTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-06 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 (1 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 CYP1A2 2713/4885LMNA 825/4885PTGS1 4418/4885

“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.