SCHEMBL584683

SCHEMBL584683

COc1ccc(Br)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.61
ALDH1A1 P00352 7/20 0.58
TRIM24 O15164 1/20 0.56
TYR P14679 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
PRKDC P78527 1/20 0.55
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2A6 P11509 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
LMNA P02545 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 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
Bromide SCHEMBL27667716 0.98 ERN1 (0.59) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28567780 0.90 PRKDC (0.74) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7865553 0.89 ALDH1A1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7832626 0.87 NPC1 (0.54) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL437463 0.86 ALDH1A1 (0.66) ERN1ALDH1A1TRIM24TYRTRIM33
Ethane SCHEMBL28205235 0.84 ALDH1A1 (0.63) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL4706617 0.82 NPC1 (0.59) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7841224 0.82 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28407055 0.82 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28407052 0.82 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620919-B Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound 浙江工业大学 2023-12-12 CN claimed
CN-112300599-B Hydrophilic anthracene fluorescent dye and synthetic method thereof 赛纳生物科技(北京)有限公司 2023-01-03 CN claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 CN claimed
CN-112300599-A Hydrophilic anthracene fluorescent dye and synthetic method thereof 赛纳生物科技(北京)有限公司 2021-02-02 CN claimed
CN-105085215-A Method for preparing 2-bromo-5-methoxybenzaldehyde TIANJIN HEOWNS BIOCHEMISTRY TECHNOLOGY CO LTD 2015-11-25 CN claimed
CN-103787837-A Method for synthesizing 1,1'-bi-phenanthryl-2,2'-diphenol UNIV CHINA PHARMA 2014-05-14 CN claimed
CN-103483383-A Synthetic method and application of (1E, 2E)-1,2-bi(5-methoxyl-2-diphenylphosphine benzylidene) hydrazine UNIV NANKAI 2014-01-01 CN claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
EP-4745117-A1 NOVEL INDENONE DERIVATIVE AND USE THEREOF Amyloid Solution Inc. (KR) 2026-05-20 EP disclosed
US-12606538-B2 Benzo[b]selenophene sting regulator, preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-04-21 US disclosed
US-20260078082-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX INC (US) 2026-03-19 US disclosed
US-20260069549-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX INC (US) 2026-03-12 US disclosed
US-20260015335-A1 AMINE-SUBSTITUTED FLUORESCENT COMPOUNDS HUGHES HOWARD MED INST (US) 2026-01-15 US disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed
US-4593033-A Cardiovascular disorders MERCK & CO., INC. (US) 1986-06-03 US disclosed
US-4548941-A 1,5-Methano-1H-4-benzazonine dicarboxylates, process for preparing and use as calcium blockers MERCK & CO., INC. (US) 1985-10-22 US disclosed
US-4431808-A ANTIDEPRESSANTS; TRANQUILIZERS; NEUROLEPTIC AGENTS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1984-02-14 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 (5 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ERN1 1308/4885ALDH1A1 67/4885TRIM24 3334/4885
US-12606538-B2 Benzo[b]selenophene sting regulator, preparation method and use thereof STING1, IRF3, TLR7 ERN1 901/4885ALDH1A1 4100/4885TRIM24 1021/4885
US-20260015335-A1 AMINE-SUBSTITUTED FLUORESCENT COMPOUNDS AOC2, H1-2, CHAT ERN1 2477/4885ALDH1A1 2761/4885TRIM24 4178/4885
US-20260078082-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PHOSPHO1, LIPC, SDCBP ERN1 988/4885ALDH1A1 4429/4885TRIM24 1666/4885
US-20260069549-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS SIN3A, PLIN3, MSR1 ERN1 1436/4885ALDH1A1 4755/4885TRIM24 3859/4885

“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.