SCHEMBL20101466

SCHEMBL20101466

Brc1ccc2c(c1)CC#CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.42
ASIC3 Q9UHC3 1/20 0.42
METAP1 P53582 1/20 0.39
ADRA2A P08913 4/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
TDP2 O95551 1/20 0.38
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL13594 0.70
SCHEMBL28126153 0.69 METAP1 (0.57) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL40823 0.69 METAP1 (0.57) PNMTASIC3METAP1ADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL8701960 0.69 PNMT (0.56) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL27619851 0.67 METAP1 (0.55) PNMTASIC3METAP1ADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL28144371 0.67 METAP1 (0.55) PNMTASIC3METAP1TDP2CMA1
SCHEMBL749569 0.67 PNMT (0.54) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL1468326 0.67 PNMT (0.54) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL25892628 0.67 PNMT (0.43) PNMTASIC3METAP1ADRA2AADRA2B
SCHEMBL20477699 0.66 TSHR (0.42) PNMTHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713291-B2 Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-08-01 US disclosed
US-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 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 (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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 PNMT 556/4885ASIC3 192/4885METAP1 2784/4885
US-11713291-B2 Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof PIEZO1, ORAI2, EXOC1 PNMT 538/4885ASIC3 268/4885METAP1 2960/4885

“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.