SCHEMBL874879

SCHEMBL874879

OB(OOC(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.42
ORAI1 Q96D31 4/20 0.41
ORAI2 Q96SN7 4/20 0.41
ORAI3 Q9BRQ5 4/20 0.41
PCSK9 Q8NBP7 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MGLL Q99685 3/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL483731 0.78 TRPV6 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL5128452 0.78 NPC1 (0.35) ALDH1A1CYP1A2CYP3A4TDP1PDK2
SCHEMBL28126456 0.75 TRPV6 (0.43) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28941182 0.75 TRPV6 (0.37) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28070120 0.72 CA1 (0.34) TRPV6CA5ACA5BCA1CA2
SCHEMBL262207 0.71 ENPP2 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL15577145 0.71 TRPV6 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL17508994 0.71 CES1 (0.36) TRPV6CA1CA2TSHRMEN1
SCHEMBL27082118 0.71 CA4 (0.32) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL184420 0.70 TRPV6 (0.50) 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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878402-A Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage 大连理工大学 2024-11-01 CN claimed
CN-116231081-A Electrolyte additive, electrolyte containing same and lithium metal battery 山东大学 2023-06-06 CN claimed
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP claimed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO claimed
CN-118878402-A Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage 大连理工大学 2024-11-01 CN disclosed
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN disclosed
WO-2023239811-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-12-14 WO disclosed
EP-4255902-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Orion Corporation (FI) 2023-10-11 EP disclosed
CN-116231081-A Electrolyte additive, electrolyte containing same and lithium metal battery 山东大学 2023-06-06 CN disclosed
CN-115812085-A Dynamic covalent hydrogels, precursors thereof and uses thereof 国家科学研究中心 2023-03-17 CN disclosed
WO-2022214519-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-13 WO disclosed
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 CN disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
US-6489490-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
EP-0426815-B1 FLUORINATED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1994-12-14 EP disclosed
WO-1990015115-A1 FLUORINATED BIPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A TRPV6 4172/4885ORAI1 4605/4885ORAI2 1642/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TRPV6 4133/4885ORAI1 4577/4885ORAI2 1594/4885

“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.