SCHEMBL454111

SCHEMBL454111

COc1ccccc1Oc1ccccc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.81
CA2 P00918 3/20 0.81
CA7 P43166 2/20 0.81
CA9 Q16790 2/20 0.81
CA12 O43570 1/20 0.81
CA4 P22748 1/20 0.81
CA14 Q9ULX7 1/20 0.81
L3MBTL1 Q9Y468 3/20 0.75
ALDH1A1 P00352 3/20 0.75
HTT P42858 2/20 0.75
MAPK1 P28482 2/20 0.75
TP53 P04637 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
ADRA2B P18089 1/20 0.55
PTGS1 P23219 1/20 0.55
ENPP2 Q13822 1/20 0.50
ORAI1 Q96D31 1/20 0.48
ORAI2 Q96SN7 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48

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
Phosphine SCHEMBL21796069 0.97 CA1 (0.77) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.90 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.90 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.90 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL8014909 0.87 CA1 (0.62) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL9793057 0.87 CA1 (0.93) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29229370 0.87 CA1 (0.93) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28281281 0.87 CA1 (0.93) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27996309 0.87 CA1 (0.93) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28602492 0.87 CA1 (0.93) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117320461-A Application of pyrenyl aniline derivatives in organic electronic device 广东工业大学 2023-12-29 CN claimed
CN-116023951-A Liquid crystal aligning agent, liquid crystal alignment film, method for producing the same, liquid crystal element, and polymer JSR株式会社 2023-04-28 CN claimed
US-10336784-B2 Methods for modular synthesis of N-glycans and arrays thereof ACADEMIA SINICA (TW) 2019-07-02 US claimed
EP-3426693-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF Academia Sinica (TW) 2019-01-16 EP claimed
CN-109195996-A Modular synthesis method of N-glycan and array thereof 中央研究院 2019-01-11 CN claimed
US-9938312-B2 Compounds and methods for chemical and chemo-enzymatic synthesis of complex glycans UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-04-10 US claimed
US-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF ACADEMIA SINICA (TW) 2017-12-21 US claimed
WO-2017156192-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF ACADEMIA SINICA (TW) 2017-09-14 WO claimed
EP-2167516-B1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS OPKO IP HOLDINGS II INC (KY) 2015-07-22 EP claimed
US-20140051603-A1 COMPOUNDS AND METHODS FOR CHEMICAL AND CHEMO-ENZYMATIC SYNTHESIS OF COMPLEX GLYCANS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2014-02-20 US claimed
US-8039676-B2 Process for producing phosphine oxide vitamin D precursors CYTOCHROMA INC. (CA) 2011-10-18 US claimed
EP-2167516-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS Cytochroma Inc. (CA) 2010-03-31 EP claimed
US-20090130029-A1 GLYCEROL ETHERS VEHICLE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOAMIX LTD. (IL) 2009-05-21 US claimed
WO-2008146130-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS CYTOCHROMA INC. (CA) 2008-12-04 WO claimed
US-20080300427-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS EIRGEN PHARMA LTD. (IE) 2008-12-04 US claimed
EP-0665897-B1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS UNIV COLUMBIA (US) 2003-07-09 EP claimed
US-5968736-A ENCODED COMBINATORIAL CHEMISTRY BY REACTING SUPPORT WITH FIRST REAGENT UNDER FIRST CONDITIONS, ATTACHING AT LEAST TWO DIFFERENT NON-SEQUENCABLE TAGS, REPEATING REACTING AND ATTACHING STEPS COLD SPRING HARBOR LABORATORY (US) 1999-10-19 US claimed
EP-0526582-A1 HETEROCYCLIC CHIRAL LIGANDS AND METHOD FOR CATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-02-10 EP claimed
WO-1991016322-A2 HETEROCYCLIC CHIRAL LIGANDS AND METHOD FOR CATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-10-31 WO claimed
US-4082807-A REACTING AN AROMATIC COMPOUND WITH AN ACETOACETYL FLUORIDE; HYDROGEN FLUORIDE HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US 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 (4 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-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF SIGLEC7, SIGLEC9, CD4 CA1 1392/4885CA2 3235/4885CA7 1858/4885
US-10336784-B2 Methods for modular synthesis of N-glycans and arrays thereof SIGLEC7, SIGLEC9, CD4 CA1 1392/4885CA2 3235/4885CA7 1858/4885
US-20140051603-A1 COMPOUNDS AND METHODS FOR CHEMICAL AND CHEMO-ENZYMATIC SYNTHESIS OF COMPLEX GLYCANS ENGASE, FUT6, GALE CA1 88/4885CA2 548/4885CA7 74/4885
US-20080300427-A1 PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS CYP24A1, VDR, FRG1 CA1 1257/4885CA2 1083/4885CA7 1407/4885

“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.