SCHEMBL9778403

SCHEMBL9778403

Brc1ccc2c(c1)Sc1ccccc1O2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.59
CYP2A6 P11509 1/20 0.34
BCHE P06276 2/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
DRD2 P14416 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL18199785 0.89 AHR (0.59) AHRCYP2A6BCHESLC6A3EGFR
SCHEMBL47016 0.86 AHR (0.56) AHR
Phenoxathiine SCHEMBL29373698 0.81 MAOA (0.42) AHRBCHESLC6A3HTR2C
Phenoxathiine SCHEMBL7922 0.81 MAOA (0.42) AHRBCHESLC6A3HTR2C
Phenoxathiine SCHEMBL29396568 0.81 MAOA (0.42) AHRBCHESLC6A3HTR2C
Phenoxathiine SCHEMBL5970725 0.79 MAOA (0.40) AHRBCHESLC6A3HTR2C
SCHEMBL19205828 0.79 AHR (0.41) AHRBCHESLC6A3HTR2C
Phenoxathiine SCHEMBL10512948 0.79 MAOA (0.40) AHRBCHESLC6A3HTR2C
Phenoxathiine SCHEMBL5699627 0.79 MAOA (0.40) AHRBCHESLC6A3HTR2C
SCHEMBL10982614 0.77 AHR (0.58) AHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 WO disclosed
WO-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 WO disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-5036067-A Enzyme inhibotors MERCK & CO., INC. (US) 1991-07-30 US disclosed
US-3975403-A Sulfur-containing ring compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-08-17 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 AHR 3014/4885CYP2A6 964/4885BCHE 3152/4885

“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.