SCHEMBL3783102

SCHEMBL3783102

Cc1ccc(B2OB(c3ccc(C)cc3)OB(c3ccc(C)cc3)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 4/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
ALOX12 P18054 1/20 0.33
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
CYP2A6 P11509 2/20 0.32
IDO1 P14902 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL16330426 1.00 ACHE (0.47) ACHETDP1CES2CES1ALDH1A1
SCHEMBL16978182 0.88 ACHE (0.59) ACHETDP1ALDH1A1LMNALPL
SCHEMBL14983539 0.86 ACHE (0.35) ACHETDP1CES2CES1
SCHEMBL14983432 0.84 MEN1 (0.42) ACHETDP1ALDH1A1TSHRLMNA
SCHEMBL14983338 0.84 ACHE (0.62) ACHETDP1CES2CES1ALDH1A1
SCHEMBL14241189 0.82 CYP1A1 (0.39) ACHECES2CES1ALDH1A1CA2
SCHEMBL16310232 0.82 ACHE (0.47) ACHETDP1CES2CES1ALDH1A1
SCHEMBL14983367 0.81 MAPT (0.53) TDP1CES2CES1ALDH1A1LMNA
SCHEMBL14983526 0.79 ACHE (0.31) ACHE
SCHEMBL13886564 0.79 ACHE (0.35) ACHETDP1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933528-A Novel method for preparing aroyloxy alkyl iodide and conversion application method thereof 湖南大学 2022-08-23 CN claimed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP claimed
CN-114933528-B New method for preparing aryl acyloxy alkyl iodide and conversion application method thereof 湖南大学 2024-03-29 CN disclosed
CN-110891958-B Lithium borofluorophosphate complex, composition containing lithium borofluorophosphate, nonaqueous electrolyte for battery, and lithium secondary battery 三井化学株式会社 2023-07-11 CN disclosed
US-11597736-B2 Lithium boron fluorophosphate complex compound, lithium boron fluorophosphate-containing composition, lithium boron fluorophosphate, additive for lithium secondary battery, non-aqueous electrolytic solution for battery, and lithium secondary battery MITSUI CHEMICALS, INC. (JP) 2023-03-07 US disclosed
CN-114933528-A Novel method for preparing aroyloxy alkyl iodide and conversion application method thereof 湖南大学 2022-08-23 CN disclosed
US-11370889-B2 Boroxine based dynamic thermosetting polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-28 US disclosed
US-11370889-B2 Boroxine based dynamic thermosetting polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-28 US disclosed
US-20190352469-A1 BOROXINE BASED DYNAMIC THERMOSETTING POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-11-21 US disclosed
US-20190352469-A1 BOROXINE BASED DYNAMIC THERMOSETTING POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-11-21 US disclosed
US-9963580-B2 Rubber composition and pneumatic tire using same THE YOKOHAMA RUBBER CO., LTD. (JP) 2018-05-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 WO disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP 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-11597736-B2 Lithium boron fluorophosphate complex compound, lithium boron fluorophosphate-containing composition, lithium boron fluorophosphate, additive for lithium secondary battery, non-aqueous electrolytic solution for battery, and lithium secondary battery F9, BCL9L, SLC9B2 ACHE 643/4885TDP1 1011/4885CES2 1445/4885

“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.