SCHEMBL534245

SCHEMBL534245

OCCCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
IDO1 P14902 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP2A13 Q16696 1/20 0.36

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
SCHEMBL30769022 1.00 TAAR1 (0.56) TAAR1IDO1GPR52POLBTSHR
SCHEMBL3028718 0.93 TAAR1 (0.54) TAAR1IDO1GPR52TSHRALDH1A1
SCHEMBL9026542 0.91 TAAR1 (0.52) TAAR1IDO1GPR52TSHRALDH1A1
SCHEMBL286557 0.86 TAAR1 (0.60) TAAR1IDO1GPR52TSHRALDH1A1
SCHEMBL29590438 0.86 TAAR1 (0.60) TAAR1IDO1GPR52TSHRALDH1A1
Phosphine SCHEMBL8416873 0.84 TAAR1 (0.58) TAAR1IDO1GPR52TSHRALDH1A1
SCHEMBL29681348 0.83 TDP1 (0.43) TAAR1POLB
SCHEMBL1607140 0.83 TDP1 (0.43) TAAR1POLB
SCHEMBL29681353 0.83 TDP1 (0.43) TAAR1POLB
SCHEMBL29351396 0.80 TAAR1 (0.71) TAAR1IDO1GPR52TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013102935-A2 Cu-MEDIATED ANNULATION FOR THE EFFECTIVE SYNTHESIS OF 3-SUBSTITUTED PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO claimed
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 US disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
EP-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
WO-2024095734-A1 FLUORINE-CONTAINING HETEROCYCLIC COMPOUND PRODUCTION METHOD, AND FLUORINE-CONTAINING COMPOUND PRODUCTION METHOD AGC株式会社 2024-05-10 WO disclosed
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
EP-0497629-A1 Heterocyclic amido prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1992-08-05 EP disclosed
US-5135939-A HETEROCYCLIC KETONE PROSTAGLANDIN ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-08-04 US disclosed
US-5126370-A Anti-thrombotic heterocyclic amido prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1992-06-30 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0476994-A1 7-Oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1992-03-25 EP disclosed
EP-0447188-A2 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases E.R. SQUIBB & SONS, INC. (US) 1991-09-18 EP disclosed
US-4977174-A Anticoagulants, antischemic agents E. R. SQUIBB & SONS, INC. (US) 1990-12-11 US disclosed
EP-0391652-A1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease E.R. SQUIBB & SONS, INC. (US) 1990-10-10 EP disclosed
US-4001233-A CNS STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1977-01-04 US disclosed
US-3957787-A CENTRAL NERVOUS SYSTEM STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 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 (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-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 TAAR1 780/4885IDO1 3040/4885GPR52 360/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885IDO1 4683/4885GPR52 358/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885IDO1 4683/4885GPR52 358/4885

“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.