SCHEMBL9843265

SCHEMBL9843265

C(=Cc1ccccc1)CC1Cc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
GSTP1 P09211 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
DAO P14920 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL9843260 1.00 HRH3 (0.45) HRH3GSTP1ALDH1A1MAPTAOC2
SCHEMBL9197193 0.85 HTR1A (0.48) ALDH1A1MAPTSIGMAR1HTR1AHTR1D
SCHEMBL10622758 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL10622772 0.81 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL3717543 0.77 HRH3 (0.60) HRH3AOC2MAOAMAOBDAO
SCHEMBL452349 0.77 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO
SCHEMBL436302 0.74 ALDH1A1 (0.46) GSTP1ALDH1A1MAPTPOLBHPGD
SCHEMBL28390611 0.73 HRH3 (0.46) HRH3AOC2MAOAMAOBDAO
SCHEMBL10366357 0.71 HTR1A (0.50) HRH3AOC2MAOAMAOBDAO
SCHEMBL6723015 0.71 HRH3 (0.53) HRH3AOC2MAOAMAOBDAO

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2024-05-09 US disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US disclosed
EP-4157811-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS McMaster University (CA) 2023-04-05 EP disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 US disclosed
WO-2021237371-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-02 WO disclosed
CN-101671304-A Ionic liquid containing cinnamyl functional groups and preparation method thereof UNIV TIANJIN POLYTECHNIC 2010-03-17 CN disclosed
EP-0420570-A2 Trans 2,3-disubstituted-2,3-dihydro-5-hydroxy-benzofurans as inhibitors of leukotriene biosynthesis MERCK & CO. INC. (US) 1991-04-03 EP disclosed
US-4975457-A Antiinflammatory agent; enzyme inhibitor MERCK & CO., INC. (US) 1990-12-04 US disclosed
US-4966907-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS MERCK & CO., INC. (US) 1990-10-30 US disclosed
US-4686235-A TOPICAL MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4686235-A TOPICAL MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4686235-A TOPICAL MERCK & CO., INC. (US) 1987-08-11 US disclosed
EP-0199235-A2 Phenylalkyl-2,3-dihydrobenzofurans and analogs useful as anti-inflammatory agents MERCK & CO. INC. (US) 1986-10-29 EP disclosed
EP-0199235-A2 Phenylalkyl-2,3-dihydrobenzofurans and analogs useful as anti-inflammatory agents MERCK & CO. INC. (US) 1986-10-29 EP disclosed
US-4537903-A Substituted cinnamyl-2,3-dihydrobenzofuran and analogs useful as anti-inflammatory agents MERCK & CO., INC. (US) 1985-08-27 US disclosed
US-4537903-A Substituted cinnamyl-2,3-dihydrobenzofuran and analogs useful as anti-inflammatory agents MERCK & CO., INC. (US) 1985-08-27 US disclosed
US-4537903-A Substituted cinnamyl-2,3-dihydrobenzofuran and analogs useful as anti-inflammatory agents MERCK & CO., INC. (US) 1985-08-27 US disclosed
EP-0143952-A1 Substituted cinnamyl-2,3-dihydrobenzopyrans and cinnamylphenols useful as anti-inflammatory agents MERCK & CO. INC. (US) 1985-06-12 EP disclosed
EP-0143952-A1 Substituted cinnamyl-2,3-dihydrobenzopyrans and cinnamylphenols useful as anti-inflammatory agents MERCK & CO. INC. (US) 1985-06-12 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 (4 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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR HRH3 53/4885GSTP1 1490/4885ALDH1A1 52/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR HRH3 53/4885GSTP1 1490/4885ALDH1A1 52/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR HRH3 53/4885GSTP1 1490/4885ALDH1A1 52/4885
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR HRH3 72/4885GSTP1 1409/4885ALDH1A1 28/4885

“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.