SCHEMBL585059

SCHEMBL585059

Cc1cc(C)c(CBr)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
RAPGEF4 Q8WZA2 6/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL17648045 0.97 HRH3 (0.39) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL28345030 0.85 HRH3 (0.35) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL6358686 0.83 TSHR (0.38) HRH3RAPGEF4CYP11B1CYP11B2ALDH1A1
SCHEMBL18481438 0.83 RAPGEF4 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL893003 0.82 ALDH1A1 (0.41) HTR1DHTR1BALDH1A1CYP1A2TSHR
SCHEMBL20669669 0.81 KMT2A (0.37) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL16670956 0.80 TRPA1 (0.33) HTR1DHTR1BALDH1A1TSHR
SCHEMBL21749452 0.80 HTR1D (0.41) HTR1DHTR1BALDH1A1KDM4EMEN1
SCHEMBL4781281 0.79 HRH3 (0.36) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL954081 0.78 RAPGEF4 (0.35) RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221956-A Negative thermal quenching fluorescent material with wide temperature range and preparation method and application thereof 常州大学 2024-06-21 CN claimed
CN-117654298-A Polyamine acid-base resistant composite filter membrane, preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2024-03-08 CN claimed
CN-115746270-B High-specific-surface-area super-crosslinked polymer with controllable porosity and preparation method and application thereof 中南民族大学 2024-01-30 CN claimed
CN-115403767-B Preparation method of cationic organic polymer and adsorption application of cationic organic polymer to perrhenate 南昌大学 2023-10-03 CN claimed
CN-115746270-A Porosity-controllable high-specific-surface-area super-crosslinked polymer and preparation method and application thereof 中南民族大学 2023-03-07 CN claimed
CN-115403767-A Preparation method of cationic organic polymer and application of cationic organic polymer to adsorption of perrhenate 南昌大学 2022-11-29 CN claimed
CN-111939985-B Core-shell composite catalytic material and preparation method thereof 青岛科技大学 2022-06-24 CN claimed
CN-114213422-A Superphanes super-sweet compound and preparation method and application thereof 湖南大学 2022-03-22 CN claimed
CN-114014466-A Method for extracting calcium-iron slag filler from nickel sulfate refining wastewater 宁波正博能源科技股份有限公司 2022-02-08 CN claimed
CN-112812317-A Dawson type polyacid-based metal-TBTZ ligand organic framework material and preparation method and application thereof 太原科技大学 2021-05-18 CN claimed
CN-111978337-A Rare earth supermolecule inclusion compound and preparation method and application thereof 湖北大学 2020-11-24 CN claimed
CN-111939985-A Core-shell type composite catalytic material and preparation method thereof 青岛科技大学 2020-11-17 CN claimed
CN-105940304-A Detection of cleavage activity of an enzyme 莫罗吉有限公司 2016-09-14 CN claimed
CN-104250231-B For the synthesis of the benzotriazole ionic liquid of toluencediamine base alkyl formate SHAANXI COAL AND CHEMICAL TECHNOLOGY DEVELOPMENT CENTER CO., LTD. (CN) 2016-04-06 CN claimed
EP-0454270-B1 Catalyst compositions SHELL INT RESEARCH (NL) 1993-12-15 EP claimed
EP-0454270-A1 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-30 EP claimed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
WO-2025124459-A1 TRICYCLIC FUSED HETEROCYCLIC PDE3/4 DUAL INHIBITOR, AND PREPARATION AND USE THEREFOR 石家庄以岭药业股份有限公司 2025-06-19 WO disclosed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0031416-A1 Process for the preparation of substituted benzaldehydes HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1981-07-08 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 (1 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-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 HRH3 2523/4885RAPGEF4 557/4885CYP11B1 2221/4885

“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.