SCHEMBL2622483

SCHEMBL2622483

CC(C)C(=O)/C=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ PLIN1 O60240 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ PLIN5 Q00G26 2/20 0.59
▸ ABHD5 Q8WTS1 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TNKS O95271 1/20 0.59
▸ HCAR2 Q8TDS4 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59

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
SCHEMBL5231718 1.00 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
Chalcone SCHEMBL7008520 0.89 CYP1B1 (0.73) TDP1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2622484 0.89 HDAC2 (0.59) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL5598797 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL5598795 0.88 TDP1 (0.61) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL13689262 0.86 HDAC3 (0.58) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL27727863 0.86 TDP1 (0.59) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL8349461 0.85 HDAC3 (0.56) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308815 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4
SCHEMBL3308818 0.84 TDP1 (0.57) TDP1GLAALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 — — US disclosed
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 — — US disclosed
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 — — US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 — — US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 — — WO disclosed
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 — — US disclosed
US-11384094-B2 Chiral auxiliaries and uses thereof Greatrex, Ben (AU) 2022-07-12 — — US disclosed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 — — US disclosed
US-5072023-A Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate E. R. SQUIBB & SONS, INC. (US) 1991-12-10 — — US disclosed
EP-0442495-A1 Process for preparing highly substituted phenyls E.R. SQUIBB & SONS, INC. (US) 1991-08-21 — — EP disclosed
EP-0004624-B1 CHROMANON DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICINES AND GROWTH-PROMOTING AGENTS BAYER AG (DE) 1982-02-24 — — EP disclosed
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 — — US disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 — — US disclosed
EP-0004624-A2 Chromanon derivatives, process for their preparation, and their use as medicines and growth-promoting agents BAYER AG (DE) 1979-10-17 — — EP disclosed
US-4000143-A ANTIARRHYTHMIC AND ANTISEROTONIN AGENTS MEAD JOHNSON & COMPANY (US) 1976-12-28 — — US disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — US disclosed
US-3931195-A ANTIARRHYTHMIA, ANTISEROTONIN MEAD JOHNSON & COMPANY (US) 1976-01-06 — — 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 (6 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-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 TDP1 1193/4885GLA 1942/4885ALDH1A1 1767/4885
US-11384094-B2 Chiral auxiliaries and uses thereof PIN1, CRY1, PIN4 TDP1 3804/4885GLA 1580/4885ALDH1A1 703/4885
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof VEGFA, HPGDS, ALOX5 TDP1 749/4885GLA 95/4885ALDH1A1 921/4885
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 TDP1 749/4885GLA 95/4885ALDH1A1 921/4885
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 TDP1 1563/4885GLA 2244/4885ALDH1A1 4464/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV TDP1 1942/4885GLA 1297/4885ALDH1A1 1863/4885

“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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