SCHEMBL502038

SCHEMBL502038

Cc1cc(C)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 1/20 0.34
ACHE P22303 2/20 0.33
MAOA P21397 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
TPMT P51580 1/20 0.32
TACR1 P25103 2/20 0.31
POLB P06746 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 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
SCHEMBL4160774 0.97 ALDH1A1 (0.38) ALDH1A1TSHRPGK1PGK2TRPA1
SCHEMBL2261460 0.94 PGK1 (0.42) ALDH1A1TSHRPGK1PGK2TRPA1
SCHEMBL305652 0.84 TACR1 (0.41) ALDH1A1TSHRPGK1PGK2TRPA1
SCHEMBL30349373 0.84 TACR1 (0.41) ALDH1A1TSHRPGK1PGK2TRPA1
SCHEMBL334160 0.82 NR1D1 (0.35) TSHRPGK1PGK2
SCHEMBL11345442 0.82 ALDH1A1 (0.55) ALDH1A1PGK1PGK2IDH1ACHE
SCHEMBL642656 0.82 TACR1 (0.31) PGK1PGK2TACR1
SCHEMBL2924850 0.82 ACHE (0.36) PGK1PGK2IDH1ACHE
SCHEMBL13498488 0.78 PARP10 (0.46) MAOA
SCHEMBL9616495 0.78 IDO1 (0.38) ALDH1A1TSHRTRPA1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12304917-B1 Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-20 US claimed
US-12275734-B1 Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-04-15 US claimed
CN-119686030-A Superfine fiber oil-water emulsion separation membrane and preparation method and application thereof 嘉兴富瑞邦新材料科技有限公司 2025-03-25 CN claimed
CN-118546138-A 3H-imidazo [4,5-C ] pyridine pleuromutilin onium salt derivatives, and preparation method and application thereof 西安康诺化工有限公司 2024-08-27 CN claimed
CN-118546155-A Pleuromutilin derivative containing thiazolo [5,4-C ] pyridine side chain and preparation method and application thereof 西安康诺化工有限公司 2024-08-27 CN claimed
CN-113444079-B Rotaxane molecular machine based on crown ether and preparation method 浙江工业大学 2022-07-01 CN claimed
CN-112473396-B Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2022-06-24 CN claimed
CN-114149421-A Palmatine derivative, preparation method and antithrombotic application thereof 中国医学科学院医药生物技术研究所 2022-03-08 CN claimed
CN-112473396-A Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2021-03-12 CN claimed
CN-106866557-B (Z)-β-alkenyl bromine multicomponent prepares the method and application of 1,4- substitution -1,2,3- triazole 乐山师范学院 2019-11-12 CN claimed
US-20130184484-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2013-07-18 US claimed
US-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2011-11-17 US claimed
CN-122013209-A Hydroxy substituted alkane compound and method for synthesizing hydroxy substituted alkane compound by electrochemical reduction coupling 山东金科力电源科技有限公司 2026-05-12 CN disclosed
EP-4683919-A1 VANIN-1 INHIBITORS Athos Therapeutics, Inc. (US) 2026-01-28 EP disclosed
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 EP disclosed
US-4639267-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-01-27 US disclosed
EP-0176294-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-02 EP disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (4 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-12275734-B1 Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof PLEC, PML, MRPL21 ALDH1A1 2527/4885TSHR 1783/4885PGK1 3800/4885
US-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL ME1, MEN1, CYP2B6 ALDH1A1 3043/4885TSHR 1734/4885PGK1 2057/4885
US-12304917-B1 Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof PLEC, MLN, MRPL21 ALDH1A1 1092/4885TSHR 539/4885PGK1 3938/4885
US-20130184484-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL ME1, MEN1, CYP2B6 ALDH1A1 3043/4885TSHR 1734/4885PGK1 2057/4885

“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.