SCHEMBL1129435

SCHEMBL1129435

OB(OCBr)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.44
ORAI1 Q96D31 3/20 0.44
ORAI2 Q96SN7 3/20 0.44
ORAI3 Q9BRQ5 3/20 0.44
PCSK9 Q8NBP7 2/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
ENPP2 Q13822 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TRPM2 O94759 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28493287 0.83 TRPV6 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL363448 0.79 TRPV6 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1722636 0.77 PCSK9 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1660275 0.77 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1756154 0.77 KDM4E (0.47) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL18550249 0.76 TSHR (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL117263 0.76 ALDH1A1 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
Hydrochloric Acid SCHEMBL2526776 0.76 KMT2A (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
Benzene SCHEMBL10445518 0.76 ALDH1A1 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1275435 0.74 PCSK9 (0.47) TRPV6ORAI1ORAI2ORAI3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117482117-B ATP-responsive manganese-based bacterial composite material and preparation method and application thereof 浙江大学 2024-06-11 CN claimed
CN-117414422-A PVA-based ROS (reactive oxygen species) responsive composite hydrogel as well as preparation method and application thereof 华中科技大学同济医学院附属协和医院 2024-01-19 CN claimed
CN-116854908-A Cationic polymer, preparation method and application thereof 中国科学院长春应用化学研究所 2023-10-10 CN claimed
CN-115466555-B Preparation method of antibacterial surface functional film layer of neodymium-iron-boron magnet 浙江中杭新材料科技有限公司 2023-06-30 CN claimed
CN-111423462-B Tetraphenyl ethylene borate pyridine salt, preparation method and application thereof, and reagent and method for detecting fructose 河北大学 2023-03-31 CN claimed
CN-114748637-A Phenylboronic acid modified nano-crystal drug stabilizing system and preparation method and application thereof 中国药科大学 2022-07-15 CN claimed
CN-114712520-A Nanocrystalline drug stabilizing system, preparation method, pharmaceutical composition and application 中国药科大学 2022-07-08 CN claimed
CN-111423462-A Tetraphenyl ethylene borate pyridine salt, preparation method and application thereof, and reagent and method for detecting fructose 河北大学 2020-07-17 CN claimed
US-12384813-B2 Polymer linked multimers of guanosine-3′, 5′-cyclic monophosphates MIRECA MEDICINES GMBH (DE) 2025-08-12 US disclosed
CN-117482117-B ATP-responsive manganese-based bacterial composite material and preparation method and application thereof 浙江大学 2024-06-11 CN disclosed
CN-114712520-B Nanocrystalline drug stabilization system, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN disclosed
US-11892401-B2 Boronic acid appended naphthyl-pyridinium fluorescent saccharide sensors for early detection of gastrointestinal diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-02-06 US disclosed
CN-117482117-A ATP-responsive manganese-based bacterial composite material and preparation method and application thereof 浙江大学 2024-02-02 CN disclosed
EP-3774951-B1 BORONIC ACID DERIVATIVES FOR DIOL-SENSING HYDROGELS THE PROVOST FELLOWS SCHOLARS AND OTHER MEMBERS OF BOARD OF TRINITY COLLEGE DUBLIN (IE) 2024-01-31 EP disclosed
WO-2009151589-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO 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-11892401-B2 Boronic acid appended naphthyl-pyridinium fluorescent saccharide sensors for early detection of gastrointestinal diseases SI, FABP2, FABP6 TRPV6 261/4885ORAI1 4027/4885ORAI2 4082/4885
US-12384813-B2 Polymer linked multimers of guanosine-3′, 5′-cyclic monophosphates PRKG1, PRKG2, PRKAG3 TRPV6 3374/4885ORAI1 2295/4885ORAI2 2665/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 TRPV6 4577/4885ORAI1 4884/4885ORAI2 4855/4885

“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.