SCHEMBL148284

SCHEMBL148284

COc1ccc(C=O)c(Br)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.48
ALDH1A1 P00352 4/20 0.47
ERN1 O75460 5/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
SRC P12931 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A1 P04798 1/20 0.41

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
Mequinol SCHEMBL28084422 0.86 TRIM24 (0.50) ALDH1A1ERN1TUBB1CYP1A1CYP1B1
SCHEMBL1534505 0.85 PRKDC (0.48) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL16096769 0.84 PRKDC (0.42) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL455647 0.84 LMNA (0.46) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL16096880 0.83 TTR (0.51) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL3539621 0.83 ALDH1A1 (0.40) PRKDCALDH1A1ERN1TSHRPOLB
SCHEMBL23706024 0.82 PRKDC (0.46) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL6805246 0.82 CYP1A1 (0.42) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL16096941 0.82 POLB (0.40) PRKDCALDH1A1ERN1TSHRKDM4E
SCHEMBL31474876 0.82 ALDH1A1 (0.56) ALDH1A1ERN1TSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749358-B A method of synthesis 5- methoxyl group -4- hydroxyl -2- aldehyde radical phenyl boric acid pinacol ester 雅本化学股份有限公司 2019-05-10 CN claimed
CN-106749358-A A kind of method for synthesizing the aldehyde radical phenyl boric acid pinacol ester of 5 methoxyl group, 4 hydroxyl 2 雅本化学股份有限公司 2017-05-31 CN claimed
CN-105001107-B A kind of method of synthesizing methyl Hongmaoxinjian 西安交通大学 2016-08-17 CN claimed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 US claimed
CN-105001107-A Synthetic method for methyl caulophine UNIV XI AN JIAOTONG 2015-10-28 CN claimed
US-20240425452-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TYRNOVO LTD. (IL) 2024-12-26 US disclosed
CN-118369091-A Isolated trans isomer of 3- (2-bromo-3, 4-dihydroxy-phenyl) -N- (3, 4, 5-trihydroxy-benzyl) -thioacrylamide 特尔诺沃有限公司 2024-07-19 CN disclosed
CN-115466205-B Isolated trans isomer of 3- (2-bromo-3, 4-dihydroxy-phenyl) -N- (3, 4, 5-trihydroxy-benzyl) -thioacrylamide 特尔诺沃有限公司 2023-10-24 CN disclosed
EP-4201926-A1 NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF Sichuan University (CN) 2023-06-28 EP disclosed
WO-2023079545-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TYRNOVO LTD. (IL) 2023-05-11 WO disclosed
CN-111662331-B Phosphine ligand, preparation method thereof and application of phosphine ligand in catalytic synthesis of ortho-tetra-substituted biaryl 宁波赜军医药科技有限公司 2023-03-21 CN disclosed
CN-115466205-A Isolated trans isomer of 3- (2-bromo-3, 4-dihydroxy-phenyl) -N- (3, 4, 5-trihydroxy-benzyl) -thioacrylamide 特尔诺沃有限公司 2022-12-13 CN disclosed
US-4342686-A Intermediates for preparing 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1982-08-03 US disclosed
EP-0004794-B1 SUBSTITUTED BENZAZEPINES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1982-04-28 EP disclosed
US-4265889-A DOPAMINERGIC, HYPOTENSIVE SMITHKLINE CORPORATION (US) 1981-05-05 US disclosed
EP-0026505-A1 7,8-Substituted-1-phenyl-2,3,4,5-tetrahydro-1-H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1981-04-08 EP disclosed
EP-0004794-A2 Substituted benzazepines, processes for preparing them and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-10-17 EP disclosed
US-4171359-A DOPAMINERGIC ACTIVITY SMITHKLINE CORPORATION (US) 1979-10-16 US disclosed
US-4165372-A 6-Carboxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds and use as dopaminergic agents SMITHKLINE CORPORATION (US) 1979-08-21 US disclosed
EP-0002327-A1 Pharmacologically active 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, method of preparing them and intermediates SMITHKLINE BECKMAN CORPORATION (US) 1979-06-13 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 (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-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CTNNB1, WNT3A, WNT1 PRKDC 3594/4885ALDH1A1 1893/4885ERN1 2510/4885
US-20240425452-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TOP2B, TERT, TAC3 PRKDC 4421/4885ALDH1A1 470/4885ERN1 4736/4885

“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.