SCHEMBL7737016

SCHEMBL7737016

CCCC1CCC(C2CCC(CCCOc3cccc(F)c3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GRM2 Q14416 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
MCHR1 Q99705 1/20 0.35
HTR1A P08908 4/20 0.34
CTSB P07858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7737020 1.00 L3MBTL1 (0.39) L3MBTL1GRM2TDP1SLC6A2SLC6A4
SCHEMBL7737012 1.00 L3MBTL1 (0.39) L3MBTL1GRM2TDP1SLC6A2SLC6A4
SCHEMBL7735805 0.88 L3MBTL1 (0.35) L3MBTL1GRM2MCHR1HRH3
SCHEMBL7735809 0.88 L3MBTL1 (0.35) L3MBTL1GRM2MCHR1HRH3
SCHEMBL7735800 0.88 L3MBTL1 (0.35) L3MBTL1GRM2MCHR1HRH3
SCHEMBL15722920 0.88 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9346475 0.85 L3MBTL1 (0.39) L3MBTL1TDP1HRH3KDM4E
SCHEMBL9561995 0.83 RIPK1 (0.46) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9561997 0.83 RIPK1 (0.46) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9156846 0.83 MEN1 (0.42) L3MBTL1GRM2TDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458433-B1 ISOTOPE REPLACEMENT; OPTICAL DISPLAY CHISSO CORPORATION (JP) 2002-10-01 US disclosed
US-20020038858-A1 Isotope replacement; optical display JNC CORPORATION (JP) 2002-04-04 US disclosed
US-6197217-B1 EXHIBIT A NEGATIVE DIELECTRIC ANISOTROPY VALUE, HAVE AN EXTREMELY HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, SMALL DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE; EXCELLENT IN MISCIBILITY WITH OTHER LC'S CHISSO CORPORATION (JP) 2001-03-06 US disclosed
EP-0959061-A1 3,3'-DIFLUOROBIPHENYL DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1999-11-24 EP disclosed
EP-0949232-A1 DIFLUOROPHENYL DERIVATIVES, LIQUID-CRYSTAL COMPOUNDS, AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1999-10-13 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 (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-20020038858-A1 Isotope replacement; optical display IRS1, FES, IK L3MBTL1 362/4885GRM2 1444/4885TDP1 753/4885

“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.