SCHEMBL330776

SCHEMBL330776

O=C(c1ccccc1)C(Br)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CES1 P23141 5/20 0.54
CES2 O00748 4/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MDM2 Q00987 1/20 0.50
GSK3B P49841 2/20 0.46
PTPN1 P18031 1/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL6181797 0.90 TDP1 (0.52) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL20995296 0.87 CES2 (0.61) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL12228069 0.86 TDP1 (0.50) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL330589 0.86 L3MBTL1 (0.48) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3703925 0.84 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL379271 0.84 GSK3B (0.60) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL9157738 0.84 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL8740775 0.84 GSK3B (0.60) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL2276402 0.82 CES1 (0.58) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL31385094 0.81 CES1 (0.50) TDP1L3MBTL1CES1CES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US claimed
US-20180271803-A1 COMPOSITIONS AND METHODS FOR TREATMENT OR PREVENTION OF ORAL MUCOSITIS PATHWAYS BIOSCIENCE, LLC 2018-09-27 US claimed
CN-107099128-A A kind of ice skates skates and its production technology 阜南县邰氏宇崴运动器材有限公司 2017-08-29 CN claimed
WO-2017041036-A1 COMPOSITIONS AND METHODS FOR TREATMENT OR PREVENTION OF ORAL MUCOSITIS PATHWAYS BIOSCIENCE, LLC (US) 2017-03-09 WO claimed
US-20170022350-A1 VISIBLE LIGHT-CURING OF PHOTOCURABLE COMPOSITIONS IN AMBIENT ATMOSPHERE BASF SE (DE) 2017-01-26 US claimed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
US-12084583-B2 Dielectric ink composition ALPHA ASSEMBLY SOLUTIONS INC. (US) 2024-09-10 US disclosed
US-20240000724-A1 Compositions and Methods for Treatment or Prevention of Oral Mucositis PATHWAYS BIOSCIENCE, LLC 2024-01-04 US disclosed
US-11786483-B2 Compositions and methods for treatment or prevention of oral mucositis PATHWAYS BIOSCIENCE, LLC (US) 2023-10-17 US disclosed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
CN-111116653-B Preparation method of pyrazole-triazole phosphine compound 河北工业大学 2022-08-12 CN disclosed
US-4193804-A REACTING AN ORGANIC SILVER SALT AND A HALOGEN-RELEASING COMPOUND TO FORM THE SILVER HALIDE WHILE CONTROLLING REDOX POTENTIAL FUJI PHOTO FILM CO., LTD. (JP) 1980-03-18 US disclosed
US-4172206-A CRYSTALLINE PROSTAGLANDINS THE UPJOHN COMPANY (US) 1979-10-23 US disclosed
US-4080506-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-21 US disclosed
US-3979440-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-07 US disclosed
US-3955982-A HYDROCARBONS, HAL EASTMAN KODAK COMPANY (US) 1976-05-11 US disclosed
US-3932338-A POLYOLEFINS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-01-13 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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 TDP1 669/4885L3MBTL1 3733/4885CES1 4150/4885

“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.