SCHEMBL1543413

SCHEMBL1543413

COC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
AKR1C3 P42330 5/20 0.74
AKR1C2 P52895 5/20 0.74
PTGS1 P23219 4/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
PTGS2 P35354 3/20 0.74
MAPT P10636 3/20 0.74
CYP2C19 P33261 2/20 0.74
FABP2 P12104 1/20 0.74
TSHR P16473 1/20 0.74
AKR1C4 P17516 1/20 0.74
ADRA2B P18089 1/20 0.74
CHRM3 P20309 1/20 0.74
HTR2C P28335 1/20 0.74
DRD3 P35462 1/20 0.74
AKR1C1 Q04828 1/20 0.74
SLC22A6 Q4U2R8 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74

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
SCHEMBL8755011 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL13448835 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL4217335 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL8755498 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL8755392 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL1543120 1.00 LMNA (0.74) LMNAAKR1C3AKR1C2PTGS1MEN1
Hydrochloric Acid SCHEMBL27850094 0.99 LMNA (0.72) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL14871874 0.90 AKR1C3 (0.76) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL24177869 0.89 CYP2C19 (0.61) LMNAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL16008494 0.87 AKR1C3 (0.72) LMNAAKR1C3AKR1C2PTGS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322791-A Enantiospecific hydrolysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1994-06-21 US claimed
EP-0227078-A1 Process for preparing (S)-alpha-methylarylacetic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-07-01 EP claimed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
WO-2023072908-A1 CO-CRYSTALS OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, LYSINE AND GABAPENTIN, PHARMACEUTICAL COMPOSITIONS AND THEIR MEDICAL USE DOMPE' FARMACEUTICI SPA (IT) 2023-05-04 WO disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-01-06 US disclosed
EP-2878592-B1 SYNTHESIS OF AMIDE DERIVATIVES OF SOME NONSTEROIDAL ANTIINFLAMMATORY DRUGS AS POTENTIAL PRO-DRUGS KUECUEKGUEZEL ILKAY (TR) 2019-02-20 EP disclosed
EP-2180788-B1 ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF RIGAS BASIL (US) 2016-12-21 EP disclosed
EP-2878592-A1 Synthesis of amide derivatives of some nonsteroidal antiinflammatory drugs as potential pro-drugs Kücükgüzel, Ilkay (TR) 2015-06-03 EP disclosed
US-9012647-B2 Nitroxide modified non-steroidal anti-inflammatory compounds and uses thereof in the treatment and prevention of diseases or disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-04-21 US disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
EP-0227078-A1 Process for preparing (S)-alpha-methylarylacetic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-07-01 EP disclosed
US-4581463-A Nucleophilic substitution process combined with additional reaction steps ETHYL CORPORATION (US) 1986-04-08 US disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 EP disclosed
US-4304931-A ANTIINFLAMMATORY AGENTS THE BOOTS COMPANY LIMITED (GB) 1981-12-08 US disclosed
US-4188491-A PREPARING 2-(4-BIPHENYLYL)PROPIONIC ACIDS BY REACTING BIPHENYLYLMAGNESIUM BROMIDES WITH SODIUM PYRUVATE, ACIDIFYING THE BOOTS COMPANY LIMITED (GB) 1980-02-12 US disclosed
US-4107439-A Process for preparing arylalkanoic acid derivatives THE UPJOHN COMPANY (US) 1978-08-15 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 (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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH LMNA 1741/4885AKR1C3 598/4885AKR1C2 852/4885
US-20220002263-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH LMNA 1741/4885AKR1C3 598/4885AKR1C2 852/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 LMNA 2754/4885AKR1C3 43/4885AKR1C2 81/4885

“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.