SCHEMBL291550

SCHEMBL291550

CC(Br)OC(=O)OC(C)Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9465777 0.91 TSHR (0.46) TSHRALDH1A1
SCHEMBL5492208 0.88
SCHEMBL9182398 0.83 CTSK (0.36)
SCHEMBL9184592 0.79 CTSK (0.41) TSHRALDH1A1NFKB1
SCHEMBL6564563 0.79
SCHEMBL4611710 0.78
SCHEMBL4611078 0.78
SCHEMBL230054 0.78
SCHEMBL291553 0.78
SCHEMBL11113675 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
CN-110621678-B Antitumor compounds 法马马有限公司 2024-09-20 CN disclosed
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 EP disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO disclosed
US-5622944-A MODIFIED 17-HYDROXY STEROL; TRANSDERMAL ELECTROTRANSPORT ENHANCEMENT AFFYMAX TECHNOLOGIES N.V. (GB) 1997-04-22 US disclosed
US-5202454-A Catalytically reacting alpha-chlorinated carbonate derivatives with anhydrous brominated compound SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1993-04-13 US disclosed
US-4889929-A ESTERIFICATION OF BENZYL PENICILLIN OR SALT WITH 1-BROMOETHYL ETHYL CARBONATE ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-12-26 US disclosed
EP-0108547-B1 PROCESS FOR THE PREPARATION OF THE 1'-ETHOXYCARBONYLOXYETHYL ESTER OF BENZYLPENICILLIN ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-06-07 EP disclosed
US-4808745-A Process for the preparation of 1-bromoethyl hydrocarbonyl carbonates and new 1-bromoethyl hydrocarbonyl carbonates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-02-28 US disclosed
US-4697032-A Process for the preparation of 1-bromoethyl hydrocarbonyl carbonates and new 1-bromoethyl hydrocarbonyl carbonates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-09-29 US disclosed
EP-0108547-A2 Process for the preparation of the 1'-ethoxycarbonyloxyethyl ester of benzylpenicillin ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-05-16 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 (3 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 TSHR 4670/4885ALDH1A1 144/4885THRB 4578/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB TSHR 3614/4885ALDH1A1 318/4885THRB 4496/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC TSHR 4635/4885ALDH1A1 795/4885THRB 4141/4885

“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.