SCHEMBL3294100

SCHEMBL3294100

CCOP(=O)(OCC)Oc1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
CYP3A4 P08684 1/20 0.69
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL11183748 0.96 TSHR (0.69) TSHRCYP3A4CA1CA2BCHE
SCHEMBL5026807 0.92 CA2 (0.70) TSHRCYP3A4CA1CA2BCHE
SCHEMBL11580219 0.90 CYP3A4 (0.56) TSHRCYP3A4CA1CA2BCHE
SCHEMBL20704057 0.89 CYP3A4 (0.60) TSHRCYP3A4CA1CA2BCHE
Propane SCHEMBL28106325 0.85 CYP3A4 (0.86) TSHRCYP3A4CA1CA2BCHE
SCHEMBL10619163 0.85 CYP3A4 (0.64) TSHRCYP3A4CA1CA2BCHE
SCHEMBL20710745 0.84 CA1 (0.62) TSHRCYP3A4CA1CA2BCHE
SCHEMBL27444520 0.83 CYP3A4 (0.83) TSHRCYP3A4CA1CA2BCHE
SCHEMBL3233706 0.83 CYP3A4 (0.62) TSHRCYP3A4
SCHEMBL10336991 0.83 TSHR (1.00) TSHRCYP3A4CA1CA2ACHE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119034812-A Catalyst composition, method for selectively hydrogenating conjugated diene latex, hydrogenated conjugated diene latex and application thereof 山东京博中聚新材料有限公司 2024-11-29 CN claimed
CN-1974612-B Application of phosphate ester compound CHANGCHUN APPLIED CHEMISTRY 2010-05-26 CN claimed
US-7723449-B2 Catalysts for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2010-05-25 US claimed
US-20090023881-A1 Catalyst for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2009-01-22 US claimed
CN-1974612-A Application of phosphate ester compound CHANGCHUN APPLIED CHEMISTRY (CN) 2007-06-06 CN claimed
CN-119034812-A Catalyst composition, method for selectively hydrogenating conjugated diene latex, hydrogenated conjugated diene latex and application thereof 山东京博中聚新材料有限公司 2024-11-29 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
WO-2019028391-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-02-07 WO disclosed
WO-2019028391-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-02-07 WO disclosed
CN-1974612-B Application of phosphate ester compound CHANGCHUN APPLIED CHEMISTRY 2010-05-26 CN disclosed
US-7723449-B2 Catalysts for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2010-05-25 US disclosed
US-20090023881-A1 Catalyst for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2009-01-22 US disclosed
CN-101125898-A Catalyst used for synthesizing polypropylene with wide molecular weight distribution CHANGCHUN APPLIED CHEMISTRY (CN) 2008-02-20 CN disclosed
CN-1974612-A Application of phosphate ester compound CHANGCHUN APPLIED CHEMISTRY (CN) 2007-06-06 CN 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 (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-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 TSHR 733/4885CYP3A4 677/4885CA1 2467/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 TSHR 733/4885CYP3A4 677/4885CA1 2467/4885

“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.