SCHEMBL6429953

SCHEMBL6429953

COc1ccc(COCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.69
▸ TDP1 Q9NUW8 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ TSHR P16473 1/20 0.65
▸ IDO1 P14902 3/20 0.57
▸ AGXT P21549 2/20 0.57
▸ SIGMAR1 Q99720 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ CA4 P22748 1/20 0.54
▸ MAOB P27338 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ APP P05067 2/20 0.50

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
SCHEMBL28551906 1.00 LTA4H (0.69) LTA4HTDP1L3MBTL1TSHRIDO1
SCHEMBL34413 0.91 IDO1 (0.67) LTA4HTDP1L3MBTL1TSHRIDO1
SCHEMBL1475481 0.89 IDO1 (0.64) LTA4HTDP1L3MBTL1TSHRIDO1
Bromide SCHEMBL28558295 0.89 IDO1 (0.64) LTA4HTDP1L3MBTL1TSHRIDO1
Potassium SCHEMBL1477050 0.89 IDO1 (0.64) LTA4HTDP1L3MBTL1TSHRIDO1
Hydrochloric Acid SCHEMBL28912134 0.89 IDO1 (0.68) LTA4HTDP1L3MBTL1TSHRIDO1
Methoxymethane SCHEMBL28823290 0.89 IDO1 (0.64) LTA4HTDP1L3MBTL1TSHRIDO1
Anisole SCHEMBL14879816 0.88 TSHR (0.60) LTA4HTDP1L3MBTL1TSHRIDO1
SCHEMBL3036840 0.87 LTA4H (0.69) LTA4HTDP1L3MBTL1IDO1AGXT
SCHEMBL8338571 0.87 TDP1 (0.77) LTA4HTDP1L3MBTL1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102600892-B Application of triarylimidazole compound serving as catalyst in electroorganic synthesis UNIV BEIJING TECHNOLOGY 2013-08-21 — — CN disclosed
CN-102600892-A Application of triarylimidazole compound serving as catalyst in electroorganic synthesis UNIV BEIJING TECHNOLOGY 2012-07-25 — — CN disclosed
US-20050261237-A1 Nucleoside phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 — — US disclosed
US-6320085-B1 REACTING BENZYL ALCOHOL DERIVATIVE WITH 1 TO 3 MOLAR EQUIVALENTS OF SPECIFIED ALCOHOL IN PRESENCE OF ACID, LEWIS ACID, METAL OXIDE OR METAL CARBONATE, ISOLATING RESULTING ETHER, STABILIZING BY ADDITION OF BASE AND/OR ANTIOXIDANT AGRO-CHEMIE NOVENYVEDOSZER GYARTO ERTEKESITO EST FORGALMAZO KFT. (HU) 2001-11-20 — — US disclosed
EP-0939749-B1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2001-07-18 — — EP disclosed
US-6133403-A RESOLE MIXTURE INCLUDING A SUBSTITUTED BENZYL ALCOHOL OR ETHER, ACID CURING CATALYST; IMPACT STRENGTH, FLEXIBILITY BORDEN CHEMICAL, INC. (US) 2000-10-17 — — US disclosed
EP-0939749-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS Agro-Chemie Növenyvedöszer Gyárto Ertékesito Es Forgalmazo KFT. (HU) 1999-09-08 — — EP disclosed
WO-1998022416-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO-CHEMIE NÖVÉNYVÉDÖSZER GYÁRTÓ ÉRTÉKESITÓ ÉS FORGALMAZÓ KFT. (HU) 1998-05-28 — — WO disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 — — EP disclosed
EP-0054699-B1 METHOD FOR THE CATALYTIC HYDROGENOLYSIS OF PARA-SUBSTITUTED BENZALDEHYDE-DIMETHYL ACETALS INTO THE CORRESPONDING BENZYLMETHYL ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-14 — — EP disclosed
EP-0054699-A2 Method for the catalytic hydrogenolysis of para-substituted benzaldehyde-dimethyl acetals into the corresponding benzylmethyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 — — EP disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 — — US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 — — US disclosed
US-4115383-A Alkoxycarbonyl-ethylthio-azetidinones and process for their preparation ELI LILLY AND COMPANY (US) 1978-09-19 — — US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 — — US disclosed
US-4079075-A Primary alkyl esters as mediums for oxidations by phase-transfer catalyzed hypohalites THE DOW CHEMICAL COMPANY (US) 1978-03-14 — — US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 — — US disclosed
US-4048162-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 — — 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-20050261237-A1 Nucleoside phosphonate analogs TYMP, PNP, NUDT1 LTA4H 3319/4885TDP1 340/4885L3MBTL1 3332/4885

“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.

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