SCHEMBL68570

SCHEMBL68570

CC(=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.69
MAOB P27338 2/20 0.68
PTGS1 P23219 2/20 0.63
PTGS2 P35354 2/20 0.63
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
LTB4R Q15722 1/20 0.61
LTB4R2 Q9NPC1 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC6A3 Q01959 1/20 0.59

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
Ethylene SCHEMBL11248134 0.97 ALOX5 (0.66) ALOX5MAOBPTGS1PTGS2NR4A1
SCHEMBL1066614 0.86 FFAR1 (0.70) ALOX5MAOBPTGS1PTGS2NR4A1
SCHEMBL1928563 0.85 MAOB (0.71) MAOBNR4A2FFAR1ALDH1A1NPC1
SCHEMBL13599952 0.85 MEN1 (0.63) ALOX5MAOBPTGS1PTGS2NR4A1
SCHEMBL4222632 0.84 FFAR1 (0.68) ALOX5MAOBPTGS1PTGS2NR4A1
Ammonia Solution, Strong SCHEMBL27788257 0.84 FFAR1 (0.68) ALOX5MAOBPTGS1PTGS2NR4A1
SCHEMBL20425306 0.84 MAOB (0.70) ALOX5MAOBPTGS1PTGS2NR4A1
Hydrochloric Acid SCHEMBL10622121 0.84 FFAR1 (0.68) ALOX5MAOBPTGS1PTGS2NR4A1
SCHEMBL10861821 0.84 PKM (0.58) ALOX5FFAR1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL9632286 0.83 MAOB (0.53) ALOX5MAOBL3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239471-A1 SYNTHESIS OF COELENTERAZINE ALLY BANK, AS COLLATERAL AGENT 2020-07-30 US claimed
CN-110627704-B Preparation method of bazedoxifene 艾瑞吉瑞股份公司 2024-02-23 CN disclosed
US-11078200-B2 Synthesis of coelenterazine INTERNATIONAL PAPER COMPANY (US) 2021-08-03 US disclosed
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-20200239471-A1 SYNTHESIS OF COELENTERAZINE ALLY BANK, AS COLLATERAL AGENT 2020-07-30 US disclosed
US-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-25 US disclosed
US-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-04-14 US disclosed
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
CN-110627704-A Preparation method of bazedoxifene 艾瑞吉瑞股份公司 2019-12-31 CN disclosed
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2019-08-15 US disclosed
EP-0051917-B1 BENZOFURAN ETHANOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1986-02-19 EP disclosed
EP-0070134-B1 SECONDARY PHENYL ETHANOL AMINES AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1985-11-13 EP disclosed
EP-0066351-B1 ARYLETHANOL AMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1985-06-26 EP disclosed
US-4432993-A 2-(2-BENZOFURANYL)ETHANOLAMINE BEECHAM GROUP LIMITED (GB) 1984-02-21 US disclosed
EP-0070134-A1 Secondary phenyl ethanol amines and their pharmaceutical use BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed
EP-0023385-B1 ETHANAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-15 EP disclosed
EP-0066351-A1 Arylethanol amine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1982-12-08 EP disclosed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US disclosed
EP-0051917-A1 Benzofuran ethanolamine derivatives, processes for their preparation, and their use in medicine BEECHAM GROUP PLC (GB) 1982-05-19 EP disclosed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 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 (7 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-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A ALOX5 989/4885MAOB 1275/4885PTGS1 506/4885
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 ALOX5 914/4885MAOB 1288/4885PTGS1 617/4885
US-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A ALOX5 989/4885MAOB 1275/4885PTGS1 506/4885
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ALOX5 914/4885MAOB 1288/4885PTGS1 617/4885
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A ALOX5 989/4885MAOB 1275/4885PTGS1 506/4885
US-11078200-B2 Synthesis of coelenterazine ACHE, UROD, DDT ALOX5 804/4885MAOB 291/4885PTGS1 1910/4885
US-20200239471-A1 SYNTHESIS OF COELENTERAZINE ACHE, UROD, DDT ALOX5 804/4885MAOB 291/4885PTGS1 1910/4885

“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.