SCHEMBL2222360

SCHEMBL2222360

BrB(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.47
ORAI1 Q96D31 3/20 0.47
ORAI2 Q96SN7 3/20 0.47
ORAI3 Q9BRQ5 3/20 0.47
CA4 P22748 3/20 0.47
PCSK9 Q8NBP7 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
ENPP2 Q13822 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
MGLL Q99685 2/20 0.35
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
ALOX12 P18054 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL8966944 0.86 ORAI1 (0.42) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL23533754 0.86 MGLL (0.54) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL115344 0.79
SCHEMBL9856793 0.73
SCHEMBL14605173 0.73
SCHEMBL125450 0.69 TRPV6 (0.53) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL8966469 0.67 ORAI1 (0.38) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL7455323 0.67 CA2 (0.52) TRPV6ORAI1ORAI2ORAI3CA7
SCHEMBL11103898 0.67 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
Ammonia Solution, Strong SCHEMBL475909 0.67 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409766-A The preparation method of a kind of boracic nitrogen small molecule and conjugated polymer and to fluorine ion sensing application 西安交通大学 2018-08-17 CN claimed
WO-2009084037-A2 NOVEL PROCESS FOR PREPARATION OF O-DESMETHYLVENLAFAXINE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2009-07-09 WO claimed
US-4199021-A Thermal energy storage apparatus JOHNSON CONTROLS, INC. (US) 1980-04-22 US claimed
US-20240254146-A1 FLUORINATED POLY(PYRIDYL)-BORATE LIGANDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-08-01 US disclosed
CN-111377952-B Compound, application thereof and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2022-11-15 CN disclosed
CN-110894203-B Organic light-emitting compound, application thereof and organic electroluminescent device 北京绿人科技有限责任公司 2022-10-11 CN disclosed
CN-110267993-B Microstructure controlled ethylene and C3-C10Alpha-olefin copolymer 雅富顿化学公司 2022-07-08 CN disclosed
US-11091613-B2 Microstructure-controlled copolymers of ethylene and C3-C10 alpha-olefins AFTON CHEMICAL CORPORATION (US) 2021-08-17 US disclosed
US-20210171678-A1 MICROSTRUCTURE-CONTROLLED COPOLYMERS OF ETHYLENE AND C3-C10 ALPHA-OLEFINS AFTON CHEMICAL CORPORATION (US) 2021-06-10 US disclosed
CN-110272410-B Compound, luminescent material, organic photoelectric device and electronic equipment 上海天马有机发光显示技术有限公司 2021-03-23 CN disclosed
EP-3755731-A1 MICROSTRUCTURE-CONTROLLED COPOLYMERS OF ETHYLENE AND C3-C10 ALPHA-OLEFINS Afton Chemical Corporation (US) 2020-12-30 EP disclosed
EP-0519496-A1 Thermosetting copolymers, silicon carbide-based fiber and processes for producing same Tonen Corporation (JP) 1992-12-23 EP disclosed
EP-0389084-A2 Process for producing a polyborosilazane Tonen Corporation (JP) 1990-09-26 EP disclosed
US-4900854-A Process for the preparation of asymmetrical alkaline earth metal organoborates, organoaluminates, organoarsenates, and organophosphates THE DOW CHEMICAL COMPANY (US) 1990-02-13 US disclosed
US-4199021-A Thermal energy storage apparatus JOHNSON CONTROLS, INC. (US) 1980-04-22 US disclosed
US-4199021-A Thermal energy storage apparatus JOHNSON CONTROLS, INC. (US) 1980-04-22 US disclosed
US-4161571-A GELATION INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-17 US disclosed
US-4080493-A POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-21 US disclosed
US-4054612-A HOMO- OR COPOLYMERIZATION OF BUTADIENE, CATALYTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-10-18 US disclosed
US-4052473-A OF ISOPRENE, NICKEL-ALKYLAMUMIN HALIDE CONTAINING CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-10-04 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 (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-20240254146-A1 FLUORINATED POLY(PYRIDYL)-BORATE LIGANDS PARG, PARN, PCBP1 TRPV6 1123/4885ORAI1 3799/4885ORAI2 4491/4885

“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.