SCHEMBL6534828

SCHEMBL6534828

Oc1cnc(-c2ccc(OCc3ccccc3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP1A2 P05177 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
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
MAOB P27338 4/20 0.55
GSTP1 P09211 1/20 0.53
PARP10 Q53GL7 1/20 0.53
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51

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
SCHEMBL7092038 0.89 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6534698 0.87 CYP1A2 (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8331353 0.86 NR4A2 (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8612030 0.85 RAB9A (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8407027 0.85 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2553979 0.84 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9424295 0.84 MAOB (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8390694 0.83 CYP4F2 (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28646599 0.82 RAB9A (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7094039 0.82 NR4A2 (0.72) NR4A1NR4A2NR4A3MAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325237-A None JP disclosed
US-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US 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-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 EP disclosed
EP-0745592-B1 Optically active pyrimidine derivatives and antiferroelectric liquid crystal compositions containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-09-19 EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 EP disclosed
US-5667722-A Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-16 US disclosed
EP-0754685-A2 Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings Rolic AG (CH) 1997-01-22 EP disclosed
JP-H08325237-A ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND TAKASAGO INTERNATL CORP 1996-12-10 JP disclosed
EP-0745592-A1 Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1996-12-04 EP disclosed
EP-0665837-A1 METHOD OF PREPARING HYDROXY-SUBSTITUTED AROMATIC HETERO-COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010153-A1 METHOD OF PREPARING HYDROXY-SUBSTITUTED AROMATIC HETERO-COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed
US-5290477-A Fluoroalkyl phenoxy containing pyrimidine-type compound TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-03-01 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 (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 LMNA 825/4885CYP1A2 2713/4885PTGS1 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.