SCHEMBL126169

SCHEMBL126169

OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.61
TRPV6 Q9H1D0 2/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
CES2 O00748 1/20 0.46
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
IDO1 P14902 2/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.33
GPR35 Q9HC97 1/20 0.33
P2RX1 P51575 1/20 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
SCHEMBL28896242 0.97 MGLL (0.59) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL30036309 0.97 MGLL (0.59) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL16164272 0.95 MGLL (0.61) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL10269425 0.89 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL491507 0.86 MGLL (0.53) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL2067336 0.86 MGLL (0.53) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL28906425 0.85 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL23527775 0.84 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1199146 0.84 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29956020 0.84 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3

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 1960 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059984-A Ester nitrile compound, electrolyte, electrochemical device and vehicle 北京车和家汽车科技有限公司 2026-05-19 CN claimed
CN-122051374-A Battery monomer, preparation method and application thereof 浙江晶科储能有限公司 2026-05-15 CN claimed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
CN-120081882-A Method for synthesizing N, N-dimethyl aminoglycoside by catalyzing glycosyl through halogen bond/hydrogen bond 江西师范大学 2025-06-03 CN claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
CN-120004822-A Flexible crystal optical waveguide material and preparation method and application thereof 湖州师范学院 2025-05-16 CN claimed
CN-116375787-B Steroid-derived chiral monoboro Lewis acid catalyst and synthesis method and application thereof 宁波大学 2025-02-28 CN claimed
CN-119019883-A Electrolyte membrane additive, electrolyte membrane and application thereof 国家电投集团科学技术研究院有限公司 2024-11-26 CN claimed
CN-118666777-A Design and preparation method of multicellular organ targeting photosensitizer and application of multicellular organ targeting photosensitizer in anti-tumor treatment 大连理工大学 2024-09-20 CN claimed
CN-118373743-A Aromatic diamine containing four trifluoromethyl groups, preparation method and application thereof, polyimide and preparation method and application thereof 兰州大学 2024-07-23 CN claimed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US claimed
EP-1392722-A2 ECHINOCANDIN PROCESS Merck & Co., Inc. (US) 2004-03-03 EP claimed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 WO claimed
US-6590100-B2 Reacting an aromatic compound bearing a leaving group and an arylboronic acid and/or its derivatives in the presence of a base and an effective amount of a nickel catalyst RHODIA CHIMIE (FR) 2003-07-08 US claimed
US-20020173652-A1 Process for preparing a polyaromatic compound SHASUN PHARMA SOLUTIONS, INC. 2002-11-21 US claimed
WO-2002083713-A2 ECHINOCANDIN PROCESS MERCK & CO., INC. (US) 2002-10-24 WO claimed
US-6051251-A Liposome loading method using a boronic acid compound ALZA CORPORATION (US) 2000-04-18 US claimed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP claimed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO claimed
WO-1995005081-A1 BIOCIDAL COMPOSITIONS CONTAINING ORGANOBORON COMPOUNDS U.S. BORAX INC. (US) 1995-02-23 WO claimed

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-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof LIPE, CEL, LIPA MGLL 16/4885TRPV6 4106/4885ORAI1 4207/4885
US-20020173652-A1 Process for preparing a polyaromatic compound PAH, ALK, ITPA MGLL 3922/4885TRPV6 380/4885ORAI1 2912/4885

“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.