SCHEMBL477440

SCHEMBL477440

CC(C)(C)[C@@H](O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.57
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
RIPK1 Q13546 1/20 0.48
LMNA P02545 5/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL112589 1.00 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL9334567 1.00 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL6464699 0.84 AOC3 (0.57) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL17660057 0.82 AOC3 (0.55) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL2364517 0.82 AOC3 (0.55) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL16015530 0.82 AOC3 (0.55) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL7821684 0.81 AOC3 (0.50) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL6407493 0.81 RXRA (0.45) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL8371385 0.81 RXRA (0.45) AOC3SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL8371383 0.81 RXRA (0.45) AOC3SLC6A4SLC6A2SLC6A3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
WO-2001040232-A9 CHLOROPHYLL AND BACTERIOCHLOROPHYLL ESTERS, AND THEIR PREPARATION YEDA RES & DEV (IL) 2002-09-12 WO 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 (9 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 AOC3 2933/4885SLC6A4 386/4885SLC6A2 900/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 AOC3 3412/4885SLC6A4 3830/4885SLC6A2 3799/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR AOC3 2677/4885SLC6A4 2116/4885SLC6A2 1728/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 AOC3 3412/4885SLC6A4 3830/4885SLC6A2 3799/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 AOC3 2835/4885SLC6A4 531/4885SLC6A2 339/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF AOC3 4209/4885SLC6A4 2566/4885SLC6A2 3085/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR AOC3 2677/4885SLC6A4 2116/4885SLC6A2 1728/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT AOC3 246/4885SLC6A4 2886/4885SLC6A2 3969/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH AOC3 1947/4885SLC6A4 1644/4885SLC6A2 1390/4885

“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.