SCHEMBL13615622

SCHEMBL13615622

B1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.32
SLC18A3 Q16572 1/20 0.32
NOS3 P29474 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
IDO1 P14902 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30165716 0.91 TSHR (0.50) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL4459017 0.86 TSHR (0.50) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL24069533 0.69
SCHEMBL13371771 0.69 TSHR (0.43) TSHRMAOAMAOBCYP2A6HTR2C
SCHEMBL19039049 0.67 CES1 (0.45) MAOAMAOBCYP2A6HPGDL3MBTL1
SCHEMBL11645158 0.67 TSHR (1.00) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL385555 0.67 TSHR (1.00) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL451157 0.67 TSHR (0.86) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL9662 0.67
SCHEMBL8355 0.67 TSHR (1.00) TSHRMAOAMAOBCYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4203134-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG Energy Solution, Ltd. (KR) 2023-06-28 EP disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 WO disclosed
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 TSHR 3938/4885MAOA 1037/4885MAOB 891/4885

“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.