SCHEMBL1783863

SCHEMBL1783863

COc1c(C)c(C)c(OC)c(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA1 P00915 1/20 0.39
CA6 P23280 1/20 0.39
PTPN1 P18031 1/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACHE P22303 1/20 0.31
IMPDH2 P12268 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9070629 0.94 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL17772634 0.88 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL11268433 0.85 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL21883813 0.85 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL14946904 0.82 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL14098922 0.82 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL1275689 0.82 CA2 (0.44) CA2CA4CA1CA6PTPN1
SCHEMBL2952712 0.80 ACHE (0.40) CA2CA4CA1CA6ALDH1A1
SCHEMBL8250446 0.80 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL9814080 0.80 CA2 (0.42) CA2CA4CA1CA6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol DSM IP ASSETS B.V. (NL) 2023-08-15 US disclosed
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol DSM IP ASSETS B.V. (NL) 2023-08-15 US disclosed
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol DSM IP ASSETS B.V. (NL) 2023-08-15 US disclosed
EP-3652162-B1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS BV (NL) 2023-02-22 EP disclosed
EP-3652162-B1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS BV (NL) 2023-02-22 EP disclosed
US-20210300886-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS BV (NL) 2021-09-30 US disclosed
EP-3652162-A1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP Assets B.V. (NL) 2020-05-20 EP disclosed
US-20200131145-A1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS B.V. (NL) 2020-04-30 US disclosed
CN-111065634-A Novel synthesis of intermediate for preparing α -tocopherol 帝斯曼知识产权资产管理有限公司 2020-04-24 CN disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed
US-4270003-A Hydroquinone derivatives and preparation thereof KURARAY CO., LTD. (JP) 1981-05-26 US disclosed
US-4234490-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed
US-4201879-A Hydroquinones HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 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 (3 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-20210300886-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL TTPA, DHPS, SQLE CA2 4840/4885CA4 4519/4885CA1 4615/4885
US-20200131145-A1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL TTPA, VKORC1, SQLE CA2 4868/4885CA4 4622/4885CA1 4688/4885
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol TTPA, DHPS, SQLE CA2 4840/4885CA4 4519/4885CA1 4615/4885

“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.